2,4-dimethyl-5-propan-2-yl-1,3-oxazole;4,7-dimethyl-2-propan-2-ylquinazoline;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,2,3,4,5,6,7-heptamethyl-8-propan-2-ylnaphthalene;3,4,5,6,7,8-hexamethyl-2-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinazoline;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine;1,2,3,4,5-pentamethyl-6-(2-methylpropyl)benzene;4-propan-2-yl-2,4-dihydropyrrol-3-one;1-propan-2-ylpyrrolidin-2-one;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;4,5,6,7-tetramethyl-2-propan-2-yl-1,3-benzothiazole;2,3,5,6-tetramethyl-4-propan-2-ylpiperidine;2,4,6-trimethyl-5-propan-2-ylpyrimidine

C183H271N33O3S3 — CID 158099251

IUPAC2,4-dimethyl-5-propan-2-yl-1,3-oxazole;4,7-dimethyl-2-propan-2-ylquinazoline;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,2,3,4,5,6,7-heptamethyl-8-propan-2-ylnaphthalene;3,4,5,6,7,8-hexamethyl-2-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinazoline;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine;1,2,3,4,5-pentamethyl-6-(2-methylpropyl)benzene;4-propan-2-yl-2,4-dihydropyrrol-3-one;1-propan-2-ylpyrrolidin-2-one;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;4,5,6,7-tetramethyl-2-propan-2-yl-1,3-benzothiazole;2,3,5,6-tetramethyl-4-propan-2-ylpiperidine;2,4,6-trimethyl-5-propan-2-ylpyrimidine
SMILESCC(C)C1C(C)C(C)NC(C)C1C.CC(C)C1C=NCC1=O.CC(C)N1CCCC1=O.CC(C)c1nnc2ccccn12.Cc1c(C)c(C)c(CC(C)C)c(C)c1C.Cc1c(C)c(C)c2c(C(C)C)c(C)c(C)c(C)c2c1C.Cc1c(C)c(C)c2c(C)c(C)c(C(C)C)nc2c1C.Cc1c(C)c(C)c2sc(C(C)C)nc2c1C.Cc1ccc2c(C)nc(C(C)C)nc2c1.Cc1ccc2ncnc(C(C)C)c2c1.Cc1ccc2nnc(C(C)C)n2n1.Cc1cnc2nnc(C(C)C)n2n1.Cc1nc(C)c(C(C)C)c(C)n1.Cc1nc(C)c(C(C)C)o1.Cc1nc(C)c(C(C)C)s1.Cc1nnc(C(C)C)s1.Cc1nnc2nnc(C(C)C)n2n1
InChIInChI=1S/C20H28.C18H25N.C15H24.C14H19NS.C13H16N2.C12H14N2.C12H25N.C10H16N2.C9H12N4.C9H11N3.C8H11N5.C8H13NO.C8H13NS.C7H10N6.C7H11NO.C7H13NO.C6H10N2S/c1-10(2)18-14(6)13(5)16(8)19-15(7)11(3)12(4)17(9)20(18)19;1-9(2)17-15(8)13(6)16-12(5)10(3)11(4)14(7)18(16)19-17;1-9(2)8-15-13(6)11(4)10(3)12(5)14(15)7;1-7(2)14-15-12-10(5)8(3)9(4)11(6)13(12)16-14;1-8(2)13-14-10(4)11-6-5-9(3)7-12(11)15-13;1-8(2)12-10-6-9(3)4-5-11(10)13-7-14-12;1-7(2)12-8(3)10(5)13-11(6)9(12)4;1-6(2)10-7(3)11-9(5)12-8(10)4;1-6(2)9-11-10-8-5-4-7(3)12-13(8)9;1-7(2)9-11-10-8-5-3-4-6-12(8)9;1-5(2)7-10-11-8-9-4-6(3)12-13(7)8;2*1-5(2)8-6(3)9-7(4)10-8;1-4(2)6-9-11-7-10-8-5(3)12-13(6)7;1-5(2)6-3-8-4-7(6)9;1-6(2)8-5-3-4-7(8)9;1-4(2)6-8-7-5(3)9-6/h10H,1-9H3;9H,1-8H3;9H,8H2,1-7H3;7H,1-6H3;5-8H,1-4H3;4-8H,1-3H3;7-13H,1-6H3;6H,1-5H3;4-6H,1-3H3;3-7H,1-2H3;4-5H,1-3H3;2*5H,1-4H3;4H,1-3H3;3,5-6H,4H2,1-2H3;6H,3-5H2,1-2H3;4H,1-3H3
InChIKeyFPBDKCQLCVRMLR-UHFFFAOYSA-N
MW3077.61 g/mol
LogP46.18
Rot. Bonds18

About 2,4-dimethyl-5-propan-2-yl-1,3-oxazole;4,7-dimethyl-2-propan-2-ylquinazoline;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,2,3,4,5,6,7-heptamethyl-8-propan-2-ylnaphthalene;3,4,5,6,7,8-hexamethyl-2-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinazoline;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine;1,2,3,4,5-pentamethyl-6-(2-methylpropyl)benzene;4-propan-2-yl-2,4-dihydropyrrol-3-one;1-propan-2-ylpyrrolidin-2-one;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;4,5,6,7-tetramethyl-2-propan-2-yl-1,3-benzothiazole;2,3,5,6-tetramethyl-4-propan-2-ylpiperidine;2,4,6-trimethyl-5-propan-2-ylpyrimidine

2,4-dimethyl-5-propan-2-yl-1,3-oxazole;4,7-dimethyl-2-propan-2-ylquinazoline;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,2,3,4,5,6,7-heptamethyl-8-propan-2-ylnaphthalene;3,4,5,6,7,8-hexamethyl-2-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinazoline;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine;1,2,3,4,5-pentamethyl-6-(2-methylpropyl)benzene;4-propan-2-yl-2,4-dihydropyrrol-3-one;1-propan-2-ylpyrrolidin-2-one;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;4,5,6,7-tetramethyl-2-propan-2-yl-1,3-benzothiazole;2,3,5,6-tetramethyl-4-propan-2-ylpiperidine;2,4,6-trimethyl-5-propan-2-ylpyrimidine (PubChem CID 158099251) has the molecular formula C183H271N33O3S3 and a molecular weight of 3077.61 g/mol. Its IUPAC name is 2,4-dimethyl-5-propan-2-yl-1,3-oxazole;4,7-dimethyl-2-propan-2-ylquinazoline;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,2,3,4,5,6,7-heptamethyl-8-propan-2-ylnaphthalene;3,4,5,6,7,8-hexamethyl-2-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinazoline;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine;1,2,3,4,5-pentamethyl-6-(2-methylpropyl)benzene;4-propan-2-yl-2,4-dihydropyrrol-3-one;1-propan-2-ylpyrrolidin-2-one;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;4,5,6,7-tetramethyl-2-propan-2-yl-1,3-benzothiazole;2,3,5,6-tetramethyl-4-propan-2-ylpiperidine;2,4,6-trimethyl-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name2,4-dimethyl-5-propan-2-yl-1,3-oxazole;4,7-dimethyl-2-propan-2-ylquinazoline;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,2,3,4,5,6,7-heptamethyl-8-propan-2-ylnaphthalene;3,4,5,6,7,8-hexamethyl-2-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinazoline;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine;1,2,3,4,5-pentamethyl-6-(2-methylpropyl)benzene;4-propan-2-yl-2,4-dihydropyrrol-3-one;1-propan-2-ylpyrrolidin-2-one;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;4,5,6,7-tetramethyl-2-propan-2-yl-1,3-benzothiazole;2,3,5,6-tetramethyl-4-propan-2-ylpiperidine;2,4,6-trimethyl-5-propan-2-ylpyrimidine
PubChem CID158099251
Molecular FormulaC183H271N33O3S3
Molecular Weight3077.61 g/mol
Exact Mass3075.12
IUPAC Name2,4-dimethyl-5-propan-2-yl-1,3-oxazole;4,7-dimethyl-2-propan-2-ylquinazoline;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,2,3,4,5,6,7-heptamethyl-8-propan-2-ylnaphthalene;3,4,5,6,7,8-hexamethyl-2-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinazoline;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine;1,2,3,4,5-pentamethyl-6-(2-methylpropyl)benzene;4-propan-2-yl-2,4-dihydropyrrol-3-one;1-propan-2-ylpyrrolidin-2-one;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;4,5,6,7-tetramethyl-2-propan-2-yl-1,3-benzothiazole;2,3,5,6-tetramethyl-4-propan-2-ylpiperidine;2,4,6-trimethyl-5-propan-2-ylpyrimidine
SMILESCC(C)C1C(C)C(C)NC(C)C1C.CC(C)C1C=NCC1=O.CC(C)N1CCCC1=O.CC(C)c1nnc2ccccn12.Cc1c(C)c(C)c(CC(C)C)c(C)c1C.Cc1c(C)c(C)c2c(C(C)C)c(C)c(C)c(C)c2c1C.Cc1c(C)c(C)c2c(C)c(C)c(C(C)C)nc2c1C.Cc1c(C)c(C)c2sc(C(C)C)nc2c1C.Cc1ccc2c(C)nc(C(C)C)nc2c1.Cc1ccc2ncnc(C(C)C)c2c1.Cc1ccc2nnc(C(C)C)n2n1.Cc1cnc2nnc(C(C)C)n2n1.Cc1nc(C)c(C(C)C)c(C)n1.Cc1nc(C)c(C(C)C)o1.Cc1nc(C)c(C(C)C)s1.Cc1nnc(C(C)C)s1.Cc1nnc2nnc(C(C)C)n2n1
InChIInChI=1S/C20H28.C18H25N.C15H24.C14H19NS.C13H16N2.C12H14N2.C12H25N.C10H16N2.C9H12N4.C9H11N3.C8H11N5.C8H13NO.C8H13NS.C7H10N6.C7H11NO.C7H13NO.C6H10N2S/c1-10(2)18-14(6)13(5)16(8)19-15(7)11(3)12(4)17(9)20(18)19;1-9(2)17-15(8)13(6)16-12(5)10(3)11(4)14(7)18(16)19-17;1-9(2)8-15-13(6)11(4)10(3)12(5)14(15)7;1-7(2)14-15-12-10(5)8(3)9(4)11(6)13(12)16-14;1-8(2)13-14-10(4)11-6-5-9(3)7-12(11)15-13;1-8(2)12-10-6-9(3)4-5-11(10)13-7-14-12;1-7(2)12-8(3)10(5)13-11(6)9(12)4;1-6(2)10-7(3)11-9(5)12-8(10)4;1-6(2)9-11-10-8-5-4-7(3)12-13(8)9;1-7(2)9-11-10-8-5-3-4-6-12(8)9;1-5(2)7-10-11-8-9-4-6(3)12-13(7)8;2*1-5(2)8-6(3)9-7(4)10-8;1-4(2)6-9-11-7-10-8-5(3)12-13(6)7;1-5(2)6-3-8-4-7(6)9;1-6(2)8-5-3-4-7(8)9;1-4(2)6-8-7-5(3)9-6/h10H,1-9H3;9H,1-8H3;9H,8H2,1-7H3;7H,1-6H3;5-8H,1-4H3;4-8H,1-3H3;7-13H,1-6H3;6H,1-5H3;4-6H,1-3H3;3-7H,1-2H3;4-5H,1-3H3;2*5H,1-4H3;4H,1-3H3;3,5-6H,4H2,1-2H3;6H,3-5H2,1-2H3;4H,1-3H3
InChIKeyFPBDKCQLCVRMLR-UHFFFAOYSA-N
XLogP46.18
TPSA427.69 Ų
H-Bond Donors1
H-Bond Acceptors38
Rotatable Bonds18
Heavy Atoms222
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003077.61
LogP ≤ 546.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1038

Analyze 2,4-dimethyl-5-propan-2-yl-1,3-oxazole;4,7-dimethyl-2-propan-2-ylquinazoline;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,2,3,4,5,6,7-heptamethyl-8-propan-2-ylnaphthalene;3,4,5,6,7,8-hexamethyl-2-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinazoline;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine;1,2,3,4,5-pentamethyl-6-(2-methylpropyl)benzene;4-propan-2-yl-2,4-dihydropyrrol-3-one;1-propan-2-ylpyrrolidin-2-one;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;4,5,6,7-tetramethyl-2-propan-2-yl-1,3-benzothiazole;2,3,5,6-tetramethyl-4-propan-2-ylpiperidine;2,4,6-trimethyl-5-propan-2-ylpyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-propan-2-yl-1,3-oxazole;4,7-dimethyl-2-propan-2-ylquinazoline;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,2,3,4,5,6,7-heptamethyl-8-propan-2-ylnaphthalene;3,4,5,6,7,8-hexamethyl-2-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinazoline;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine;1,2,3,4,5-pentamethyl-6-(2-methylpropyl)benzene;4-propan-2-yl-2,4-dihydropyrrol-3-one;1-propan-2-ylpyrrolidin-2-one;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;4,5,6,7-tetramethyl-2-propan-2-yl-1,3-benzothiazole;2,3,5,6-tetramethyl-4-propan-2-ylpiperidine;2,4,6-trimethyl-5-propan-2-ylpyrimidine?
The IUPAC name of 2,4-dimethyl-5-propan-2-yl-1,3-oxazole;4,7-dimethyl-2-propan-2-ylquinazoline;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,2,3,4,5,6,7-heptamethyl-8-propan-2-ylnaphthalene;3,4,5,6,7,8-hexamethyl-2-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinazoline;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine;1,2,3,4,5-pentamethyl-6-(2-methylpropyl)benzene;4-propan-2-yl-2,4-dihydropyrrol-3-one;1-propan-2-ylpyrrolidin-2-one;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;4,5,6,7-tetramethyl-2-propan-2-yl-1,3-benzothiazole;2,3,5,6-tetramethyl-4-propan-2-ylpiperidine;2,4,6-trimethyl-5-propan-2-ylpyrimidine (CID 158099251) is 2,4-dimethyl-5-propan-2-yl-1,3-oxazole;4,7-dimethyl-2-propan-2-ylquinazoline;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,2,3,4,5,6,7-heptamethyl-8-propan-2-ylnaphthalene;3,4,5,6,7,8-hexamethyl-2-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinazoline;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine;1,2,3,4,5-pentamethyl-6-(2-methylpropyl)benzene;4-propan-2-yl-2,4-dihydropyrrol-3-one;1-propan-2-ylpyrrolidin-2-one;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;4,5,6,7-tetramethyl-2-propan-2-yl-1,3-benzothiazole;2,3,5,6-tetramethyl-4-propan-2-ylpiperidine;2,4,6-trimethyl-5-propan-2-ylpyrimidine.
What is the SMILES notation for 2,4-dimethyl-5-propan-2-yl-1,3-oxazole;4,7-dimethyl-2-propan-2-ylquinazoline;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,2,3,4,5,6,7-heptamethyl-8-propan-2-ylnaphthalene;3,4,5,6,7,8-hexamethyl-2-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinazoline;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine;1,2,3,4,5-pentamethyl-6-(2-methylpropyl)benzene;4-propan-2-yl-2,4-dihydropyrrol-3-one;1-propan-2-ylpyrrolidin-2-one;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;4,5,6,7-tetramethyl-2-propan-2-yl-1,3-benzothiazole;2,3,5,6-tetramethyl-4-propan-2-ylpiperidine;2,4,6-trimethyl-5-propan-2-ylpyrimidine?
The canonical SMILES for 2,4-dimethyl-5-propan-2-yl-1,3-oxazole;4,7-dimethyl-2-propan-2-ylquinazoline;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,2,3,4,5,6,7-heptamethyl-8-propan-2-ylnaphthalene;3,4,5,6,7,8-hexamethyl-2-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinazoline;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine;1,2,3,4,5-pentamethyl-6-(2-methylpropyl)benzene;4-propan-2-yl-2,4-dihydropyrrol-3-one;1-propan-2-ylpyrrolidin-2-one;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;4,5,6,7-tetramethyl-2-propan-2-yl-1,3-benzothiazole;2,3,5,6-tetramethyl-4-propan-2-ylpiperidine;2,4,6-trimethyl-5-propan-2-ylpyrimidine is CC(C)C1C(C)C(C)NC(C)C1C.CC(C)C1C=NCC1=O.CC(C)N1CCCC1=O.CC(C)c1nnc2ccccn12.Cc1c(C)c(C)c(CC(C)C)c(C)c1C.Cc1c(C)c(C)c2c(C(C)C)c(C)c(C)c(C)c2c1C.Cc1c(C)c(C)c2c(C)c(C)c(C(C)C)nc2c1C.Cc1c(C)c(C)c2sc(C(C)C)nc2c1C.Cc1ccc2c(C)nc(C(C)C)nc2c1.Cc1ccc2ncnc(C(C)C)c2c1.Cc1ccc2nnc(C(C)C)n2n1.Cc1cnc2nnc(C(C)C)n2n1.Cc1nc(C)c(C(C)C)c(C)n1.Cc1nc(C)c(C(C)C)o1.Cc1nc(C)c(C(C)C)s1.Cc1nnc(C(C)C)s1.Cc1nnc2nnc(C(C)C)n2n1.
What is the InChIKey of 2,4-dimethyl-5-propan-2-yl-1,3-oxazole;4,7-dimethyl-2-propan-2-ylquinazoline;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,2,3,4,5,6,7-heptamethyl-8-propan-2-ylnaphthalene;3,4,5,6,7,8-hexamethyl-2-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinazoline;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine;1,2,3,4,5-pentamethyl-6-(2-methylpropyl)benzene;4-propan-2-yl-2,4-dihydropyrrol-3-one;1-propan-2-ylpyrrolidin-2-one;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;4,5,6,7-tetramethyl-2-propan-2-yl-1,3-benzothiazole;2,3,5,6-tetramethyl-4-propan-2-ylpiperidine;2,4,6-trimethyl-5-propan-2-ylpyrimidine?
The InChIKey is FPBDKCQLCVRMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28.C18H25N.C15H24.C14H19NS.C13H16N2.C12H14N2.C12H25N.C10H16N2.C9H12N4.C9H11N3.C8H11N5.C8H13NO.C8H13NS.C7H10N6.C7H11NO.C7H13NO.C6H10N2S/c1-10(2)18-14(6)13(5)16(8)19-15(7)11(3)12(4)17(9)20(18)19;1-9(2)17-15(8)13(6)16-12(5)10(3)11(4)14(7)18(16)19-17;1-9(2)8-15-13(6)11(4)10(3)12(5)14(15)7;1-7(2)14-15-12-10(5)8(3)9(4)11(6)13(12)16-14;1-8(2)13-14-10(4)11-6-5-9(3)7-12(11)15-13;1-8(2)12-10-6-9(3)4-5-11(10)13-7-14-12;1-7(2)12-8(3)10(5)13-11(6)9(12)4;1-6(2)10-7(3)11-9(5)12-8(10)4;1-6(2)9-11-10-8-5-4-7(3)12-13(8)9;1-7(2)9-11-10-8-5-3-4-6-12(8)9;1-5(2)7-10-11-8-9-4-6(3)12-13(7)8;2*1-5(2)8-6(3)9-7(4)10-8;1-4(2)6-9-11-7-10-8-5(3)12-13(6)7;1-5(2)6-3-8-4-7(6)9;1-6(2)8-5-3-4-7(8)9;1-4(2)6-8-7-5(3)9-6/h10H,1-9H3;9H,1-8H3;9H,8H2,1-7H3;7H,1-6H3;5-8H,1-4H3;4-8H,1-3H3;7-13H,1-6H3;6H,1-5H3;4-6H,1-3H3;3-7H,1-2H3;4-5H,1-3H3;2*5H,1-4H3;4H,1-3H3;3,5-6H,4H2,1-2H3;6H,3-5H2,1-2H3;4H,1-3H3.
What are the key properties of 2,4-dimethyl-5-propan-2-yl-1,3-oxazole;4,7-dimethyl-2-propan-2-ylquinazoline;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,2,3,4,5,6,7-heptamethyl-8-propan-2-ylnaphthalene;3,4,5,6,7,8-hexamethyl-2-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinazoline;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine;1,2,3,4,5-pentamethyl-6-(2-methylpropyl)benzene;4-propan-2-yl-2,4-dihydropyrrol-3-one;1-propan-2-ylpyrrolidin-2-one;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;4,5,6,7-tetramethyl-2-propan-2-yl-1,3-benzothiazole;2,3,5,6-tetramethyl-4-propan-2-ylpiperidine;2,4,6-trimethyl-5-propan-2-ylpyrimidine?
2,4-dimethyl-5-propan-2-yl-1,3-oxazole;4,7-dimethyl-2-propan-2-ylquinazoline;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,2,3,4,5,6,7-heptamethyl-8-propan-2-ylnaphthalene;3,4,5,6,7,8-hexamethyl-2-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinazoline;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine;1,2,3,4,5-pentamethyl-6-(2-methylpropyl)benzene;4-propan-2-yl-2,4-dihydropyrrol-3-one;1-propan-2-ylpyrrolidin-2-one;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;4,5,6,7-tetramethyl-2-propan-2-yl-1,3-benzothiazole;2,3,5,6-tetramethyl-4-propan-2-ylpiperidine;2,4,6-trimethyl-5-propan-2-ylpyrimidine has a molecular weight of 3077.61 g/mol, XLogP of 46.18, 18 rotatable bonds, 1 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-propan-2-yl-1,3-oxazole;4,7-dimethyl-2-propan-2-ylquinazoline;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,2,3,4,5,6,7-heptamethyl-8-propan-2-ylnaphthalene;3,4,5,6,7,8-hexamethyl-2-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinazoline;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine;1,2,3,4,5-pentamethyl-6-(2-methylpropyl)benzene;4-propan-2-yl-2,4-dihydropyrrol-3-one;1-propan-2-ylpyrrolidin-2-one;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;4,5,6,7-tetramethyl-2-propan-2-yl-1,3-benzothiazole;2,3,5,6-tetramethyl-4-propan-2-ylpiperidine;2,4,6-trimethyl-5-propan-2-ylpyrimidine is sourced from PubChem (CID 158099251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).