2,5-dimethyl-1,3-di(propan-2-yl)pyrrole;5,7-di(propan-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine;2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;2,4-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;2,4-di(propan-2-yl)triazole

C118H196N10O5S5 — CID 159318073

IUPAC2,5-dimethyl-1,3-di(propan-2-yl)pyrrole;5,7-di(propan-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine;2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;2,4-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;2,4-di(propan-2-yl)triazole
SMILESCC(C)c1ccc(C(C)C)o1.CC(C)c1ccc(C(C)C)s1.CC(C)c1ccn(C(C)C)c1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C(C)C)n1.CC(C)c1coc(C(C)C)c1.CC(C)c1coc(C(C)C)n1.CC(C)c1csc(C(C)C)c1.CC(C)c1csc(C(C)C)n1.CC(C)c1sc(C(C)C)c2c1OCCO2.Cc1cc(C(C)C)c(C)n1C(C)C
InChIInChI=1S/C12H21N.C12H18O2S.C10H17N.2C10H16O.2C10H16S.C9H16N2.C9H15NO.2C9H15NS.C8H15N3/c1-8(2)12-7-10(5)13(9(3)4)11(12)6;1-7(2)11-9-10(14-6-5-13-9)12(15-11)8(3)4;1-8(2)10-5-6-11(7-10)9(3)4;1-7(2)9-5-10(8(3)4)11-6-9;1-7(2)9-5-6-10(11-9)8(3)4;1-7(2)9-5-10(8(3)4)11-6-9;1-7(2)9-5-6-10(11-9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;2*1-6(2)8-5-11-9(10-8)7(3)4;1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-9-11(10-8)7(3)4/h7-9H,1-6H3;7-8H,5-6H2,1-4H3;5-9H,1-4H3;5*5-8H,1-4H3;4*5-7H,1-4H3
InChIKeyLDKCZFMUJIEVAI-UHFFFAOYSA-N
MW1995.27 g/mol
LogP40.08
Rot. Bonds24

About 2,5-dimethyl-1,3-di(propan-2-yl)pyrrole;5,7-di(propan-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine;2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;2,4-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;2,4-di(propan-2-yl)triazole

2,5-dimethyl-1,3-di(propan-2-yl)pyrrole;5,7-di(propan-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine;2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;2,4-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;2,4-di(propan-2-yl)triazole (PubChem CID 159318073) has the molecular formula C118H196N10O5S5 and a molecular weight of 1995.27 g/mol. Its IUPAC name is 2,5-dimethyl-1,3-di(propan-2-yl)pyrrole;5,7-di(propan-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine;2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;2,4-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;2,4-di(propan-2-yl)triazole.

Molecular Properties

Compound Name2,5-dimethyl-1,3-di(propan-2-yl)pyrrole;5,7-di(propan-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine;2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;2,4-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;2,4-di(propan-2-yl)triazole
PubChem CID159318073
Molecular FormulaC118H196N10O5S5
Molecular Weight1995.27 g/mol
Exact Mass1993.40
IUPAC Name2,5-dimethyl-1,3-di(propan-2-yl)pyrrole;5,7-di(propan-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine;2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;2,4-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;2,4-di(propan-2-yl)triazole
SMILESCC(C)c1ccc(C(C)C)o1.CC(C)c1ccc(C(C)C)s1.CC(C)c1ccn(C(C)C)c1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C(C)C)n1.CC(C)c1coc(C(C)C)c1.CC(C)c1coc(C(C)C)n1.CC(C)c1csc(C(C)C)c1.CC(C)c1csc(C(C)C)n1.CC(C)c1sc(C(C)C)c2c1OCCO2.Cc1cc(C(C)C)c(C)n1C(C)C
InChIInChI=1S/C12H21N.C12H18O2S.C10H17N.2C10H16O.2C10H16S.C9H16N2.C9H15NO.2C9H15NS.C8H15N3/c1-8(2)12-7-10(5)13(9(3)4)11(12)6;1-7(2)11-9-10(14-6-5-13-9)12(15-11)8(3)4;1-8(2)10-5-6-11(7-10)9(3)4;1-7(2)9-5-10(8(3)4)11-6-9;1-7(2)9-5-6-10(11-9)8(3)4;1-7(2)9-5-10(8(3)4)11-6-9;1-7(2)9-5-6-10(11-9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;2*1-6(2)8-5-11-9(10-8)7(3)4;1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-9-11(10-8)7(3)4/h7-9H,1-6H3;7-8H,5-6H2,1-4H3;5-9H,1-4H3;5*5-8H,1-4H3;4*5-7H,1-4H3
InChIKeyLDKCZFMUJIEVAI-UHFFFAOYSA-N
XLogP40.08
TPSA154.94 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds24
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001995.27
LogP ≤ 540.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 2,5-dimethyl-1,3-di(propan-2-yl)pyrrole;5,7-di(propan-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine;2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;2,4-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;2,4-di(propan-2-yl)triazole with MolForge

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Related Compounds

2,4-Ditert-butyl-4,5-dihydro-1,3-oxazole;2,4-ditert-butylfuran;2,4-ditert-butyl-1,3-oxazole;1,3-ditert-butylpyrrole;bis(1,3-ditert-butylpyrrolidine);2,4-ditert-butyl-1,3-thiazole
CID 157241775
bis(5-tert-butyl-2,3-di(propan-2-yl)furan);bis(2-tert-butyl-4,5-di(propan-2-yl)-1,3-oxazole);bis(1-tert-butyl-3,4-di(propan-2-yl)pyrazole);bis(3-tert-butyl-1,5-di(propan-2-yl)pyrazole);bis(5-tert-butyl-2,3-di(propan-2-yl)-1H-pyrrole);bis(2-tert-butyl-4,5-di(propan-2-yl)-1,3-thiazole);bis(5-tert-butyl-2,3-di(propan-2-yl)thiophene)
CID 157438329
CID 157796294
CID 157796294
2-Tert-butyl-4-(3,3-dimethylbutyl)furan;2-tert-butyl-5-(3,3-dimethylbutyl)furan;4-tert-butyl-1-(3,3-dimethylbutyl)imidazole;2-tert-butyl-4-(3,3-dimethylbutyl)-1,3-oxazole;4-tert-butyl-2-(3,3-dimethylbutyl)-1,3-oxazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1,3-oxazole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;4-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrrole;5-tert-butyl-2-(3,3-dimethylbutyl)-1,3-thiazole
CID 157806823
4-Tert-butyl-2-propan-2-ylfuran;4-tert-butyl-2-propan-2-ylthiophene;2,5-dimethyl-1,3-di(propan-2-yl)pyrrole;5,7-di(propan-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine;2,5-di(propan-2-yl)furan;2,4-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene;2,4-di(propan-2-yl)triazole
CID 157845858
Bis(2,4-di(propan-2-yl)furan);2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(2,5-di(propan-2-yl)-1,3-oxazole);bis(3,5-di(propan-2-yl)-1,2-oxazole);bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(3,5-di(propan-2-yl)-1,2-thiazole);bis(2,4-di(propan-2-yl)thiophene);2,5-di(propan-2-yl)thiophene
CID 158034974
1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-2H-pyrrole;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 158152705
bis(2-tert-butylfuran);2-tert-butyl-4H-imidazole;tris(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;5-tert-butyl-2H-pyrrole;2-tert-butyl-1,3-thiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole
CID 158356278
Bis(2,3-dimethylfuran);bis(3,4-dimethylfuran);bis(1,2-dimethylimidazole);1,5-dimethylimidazole;4,5-dimethyl-1,3-oxazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;4,5-dimethyl-1,3-thiazole;bis(2,3-dimethylthiophene);bis(3,4-dimethylthiophene);methane;1,4,5-trimethylimidazole;1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole
CID 158937545
bis(2,4-di(propan-2-yl)furan);2,5-di(propan-2-yl)furan;bis(1,4-di(propan-2-yl)imidazole);bis(2,5-di(propan-2-yl)-1H-imidazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(2,5-di(propan-2-yl)-1,3-oxazole);bis(1,3-di(propan-2-yl)pyrazole);bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,4-di(propan-2-yl)-1H-pyrrole);2,5-di(propan-2-yl)-1H-pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(2,4-di(propan-2-yl)thiophene);2,5-di(propan-2-yl)thiophene
CID 158976874
4,5-Di(propan-2-yl)-1,3-dioxole;2,3-di(propan-2-yl)furan;bis(4,5-di(propan-2-yl)-1,3-oxazole);2,3-di(propan-2-yl)pyridine;bis(4,5-di(propan-2-yl)-1,3-thiazole);2,3-di(propan-2-yl)thiophene
CID 159058471
Bis(2,4-di(propan-2-yl)furan);2,5-di(propan-2-yl)furan;bis(1,4-di(propan-2-yl)imidazole);2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(2,5-di(propan-2-yl)-1,3-oxazole);bis(3,5-di(propan-2-yl)-1,2-oxazole);bis(1,3-di(propan-2-yl)pyrazole);bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(3,5-di(propan-2-yl)-1,2-thiazole);bis(2,4-di(propan-2-yl)thiophene);2,5-di(propan-2-yl)thiophene
CID 159240315

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,3-di(propan-2-yl)pyrrole;5,7-di(propan-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine;2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;2,4-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;2,4-di(propan-2-yl)triazole?
The IUPAC name of 2,5-dimethyl-1,3-di(propan-2-yl)pyrrole;5,7-di(propan-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine;2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;2,4-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;2,4-di(propan-2-yl)triazole (CID 159318073) is 2,5-dimethyl-1,3-di(propan-2-yl)pyrrole;5,7-di(propan-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine;2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;2,4-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;2,4-di(propan-2-yl)triazole.
What is the SMILES notation for 2,5-dimethyl-1,3-di(propan-2-yl)pyrrole;5,7-di(propan-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine;2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;2,4-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;2,4-di(propan-2-yl)triazole?
The canonical SMILES for 2,5-dimethyl-1,3-di(propan-2-yl)pyrrole;5,7-di(propan-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine;2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;2,4-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;2,4-di(propan-2-yl)triazole is CC(C)c1ccc(C(C)C)o1.CC(C)c1ccc(C(C)C)s1.CC(C)c1ccn(C(C)C)c1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C(C)C)n1.CC(C)c1coc(C(C)C)c1.CC(C)c1coc(C(C)C)n1.CC(C)c1csc(C(C)C)c1.CC(C)c1csc(C(C)C)n1.CC(C)c1sc(C(C)C)c2c1OCCO2.Cc1cc(C(C)C)c(C)n1C(C)C.
What is the InChIKey of 2,5-dimethyl-1,3-di(propan-2-yl)pyrrole;5,7-di(propan-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine;2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;2,4-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;2,4-di(propan-2-yl)triazole?
The InChIKey is LDKCZFMUJIEVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N.C12H18O2S.C10H17N.2C10H16O.2C10H16S.C9H16N2.C9H15NO.2C9H15NS.C8H15N3/c1-8(2)12-7-10(5)13(9(3)4)11(12)6;1-7(2)11-9-10(14-6-5-13-9)12(15-11)8(3)4;1-8(2)10-5-6-11(7-10)9(3)4;1-7(2)9-5-10(8(3)4)11-6-9;1-7(2)9-5-6-10(11-9)8(3)4;1-7(2)9-5-10(8(3)4)11-6-9;1-7(2)9-5-6-10(11-9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;2*1-6(2)8-5-11-9(10-8)7(3)4;1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-9-11(10-8)7(3)4/h7-9H,1-6H3;7-8H,5-6H2,1-4H3;5-9H,1-4H3;5*5-8H,1-4H3;4*5-7H,1-4H3.
What are the key properties of 2,5-dimethyl-1,3-di(propan-2-yl)pyrrole;5,7-di(propan-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine;2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;2,4-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;2,4-di(propan-2-yl)triazole?
2,5-dimethyl-1,3-di(propan-2-yl)pyrrole;5,7-di(propan-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine;2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;2,4-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;2,4-di(propan-2-yl)triazole has a molecular weight of 1995.27 g/mol, XLogP of 40.08, 24 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1,3-di(propan-2-yl)pyrrole;5,7-di(propan-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine;2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;2,4-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;2,4-di(propan-2-yl)triazole is sourced from PubChem (CID 159318073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).