2,5-dimethyl-4-propan-2-yl-1,3-oxazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;3-methyl-5-propan-2-yl-1,2-benzoxazole;2-methyl-5-propan-2-yl-1H-imidazole;5-methyl-4-propan-2-yl-1H-imidazole;1-methyl-6-propan-2-ylindole;1-methyl-5-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;6-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-indazole;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine

C103H149N21O2 — CID 160826387

IUPAC2,5-dimethyl-4-propan-2-yl-1,3-oxazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;3-methyl-5-propan-2-yl-1,2-benzoxazole;2-methyl-5-propan-2-yl-1H-imidazole;5-methyl-4-propan-2-yl-1H-imidazole;1-methyl-6-propan-2-ylindole;1-methyl-5-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;6-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-indazole;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
SMILESCC(C)c1c[nH]c2ncccc12.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2ccn(C)c2c1.CC(C)c1ccc2nccn2c1.CC(C)c1ccnn1C.CC(C)c1cnc[nH]1.Cc1[nH]cnc1C(C)C.Cc1[nH]ncc1C(C)C.Cc1n[nH]c(C)c1C(C)C.Cc1nc(C(C)C)c(C)o1.Cc1ncc(C(C)C)[nH]1.Cc1noc2ccc(C(C)C)cc12
InChIInChI=1S/C12H15N.C11H13NO.3C10H12N2.C8H14N2.C8H13NO.4C7H12N2.C6H10N2/c1-9(2)11-5-4-10-6-7-13(3)12(10)8-11;1-7(2)9-4-5-11-10(6-9)8(3)12-13-11;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-8(2)9-3-4-10-11-5-6-12(10)7-9;1-7(2)9-6-12-10-8(9)4-3-5-11-10;1-5(2)8-6(3)9-10-7(8)4;1-5(2)8-6(3)10-7(4)9-8;1-6(2)7-4-5-8-9(7)3;1-5(2)7-6(3)8-4-9-7;1-5(2)7-4-8-6(3)9-7;1-5(2)7-4-8-9-6(7)3;1-5(2)6-3-7-4-8-6/h4-9H,1-3H3;4-7H,1-3H3;3-7H,1-2H3,(H,11,12);3-8H,1-2H3;3-7H,1-2H3,(H,11,12);5H,1-4H3,(H,9,10);5H,1-4H3;4-6H,1-3H3;3*4-5H,1-3H3,(H,8,9);3-5H,1-2H3,(H,7,8)
InChIKeySGFPDFVJAVAOJP-UHFFFAOYSA-N
MW1713.47 g/mol
LogP27.56
Rot. Bonds12

About 2,5-dimethyl-4-propan-2-yl-1,3-oxazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;3-methyl-5-propan-2-yl-1,2-benzoxazole;2-methyl-5-propan-2-yl-1H-imidazole;5-methyl-4-propan-2-yl-1H-imidazole;1-methyl-6-propan-2-ylindole;1-methyl-5-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;6-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-indazole;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine

2,5-dimethyl-4-propan-2-yl-1,3-oxazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;3-methyl-5-propan-2-yl-1,2-benzoxazole;2-methyl-5-propan-2-yl-1H-imidazole;5-methyl-4-propan-2-yl-1H-imidazole;1-methyl-6-propan-2-ylindole;1-methyl-5-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;6-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-indazole;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 160826387) has the molecular formula C103H149N21O2 and a molecular weight of 1713.47 g/mol. Its IUPAC name is 2,5-dimethyl-4-propan-2-yl-1,3-oxazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;3-methyl-5-propan-2-yl-1,2-benzoxazole;2-methyl-5-propan-2-yl-1H-imidazole;5-methyl-4-propan-2-yl-1H-imidazole;1-methyl-6-propan-2-ylindole;1-methyl-5-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;6-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-indazole;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2,5-dimethyl-4-propan-2-yl-1,3-oxazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;3-methyl-5-propan-2-yl-1,2-benzoxazole;2-methyl-5-propan-2-yl-1H-imidazole;5-methyl-4-propan-2-yl-1H-imidazole;1-methyl-6-propan-2-ylindole;1-methyl-5-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;6-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-indazole;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
PubChem CID160826387
Molecular FormulaC103H149N21O2
Molecular Weight1713.47 g/mol
Exact Mass1712.22
IUPAC Name2,5-dimethyl-4-propan-2-yl-1,3-oxazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;3-methyl-5-propan-2-yl-1,2-benzoxazole;2-methyl-5-propan-2-yl-1H-imidazole;5-methyl-4-propan-2-yl-1H-imidazole;1-methyl-6-propan-2-ylindole;1-methyl-5-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;6-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-indazole;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
SMILESCC(C)c1c[nH]c2ncccc12.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2ccn(C)c2c1.CC(C)c1ccc2nccn2c1.CC(C)c1ccnn1C.CC(C)c1cnc[nH]1.Cc1[nH]cnc1C(C)C.Cc1[nH]ncc1C(C)C.Cc1n[nH]c(C)c1C(C)C.Cc1nc(C(C)C)c(C)o1.Cc1ncc(C(C)C)[nH]1.Cc1noc2ccc(C(C)C)cc12
InChIInChI=1S/C12H15N.C11H13NO.3C10H12N2.C8H14N2.C8H13NO.4C7H12N2.C6H10N2/c1-9(2)11-5-4-10-6-7-13(3)12(10)8-11;1-7(2)9-4-5-11-10(6-9)8(3)12-13-11;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-8(2)9-3-4-10-11-5-6-12(10)7-9;1-7(2)9-6-12-10-8(9)4-3-5-11-10;1-5(2)8-6(3)9-10-7(8)4;1-5(2)8-6(3)10-7(4)9-8;1-6(2)7-4-5-8-9(7)3;1-5(2)7-6(3)8-4-9-7;1-5(2)7-4-8-6(3)9-7;1-5(2)7-4-8-9-6(7)3;1-5(2)6-3-7-4-8-6/h4-9H,1-3H3;4-7H,1-3H3;3-7H,1-2H3,(H,11,12);3-8H,1-2H3;3-7H,1-2H3,(H,11,12);5H,1-4H3,(H,9,10);5H,1-4H3;4-6H,1-3H3;3*4-5H,1-3H3,(H,8,9);3-5H,1-2H3,(H,7,8)
InChIKeySGFPDFVJAVAOJP-UHFFFAOYSA-N
XLogP27.56
TPSA292.87 Ų
H-Bond Donors7
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001713.47
LogP ≤ 527.56
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1016

Analyze 2,5-dimethyl-4-propan-2-yl-1,3-oxazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;3-methyl-5-propan-2-yl-1,2-benzoxazole;2-methyl-5-propan-2-yl-1H-imidazole;5-methyl-4-propan-2-yl-1H-imidazole;1-methyl-6-propan-2-ylindole;1-methyl-5-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;6-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-indazole;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-propan-2-yl-1,3-oxazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;3-methyl-5-propan-2-yl-1,2-benzoxazole;2-methyl-5-propan-2-yl-1H-imidazole;5-methyl-4-propan-2-yl-1H-imidazole;1-methyl-6-propan-2-ylindole;1-methyl-5-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;6-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-indazole;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2,5-dimethyl-4-propan-2-yl-1,3-oxazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;3-methyl-5-propan-2-yl-1,2-benzoxazole;2-methyl-5-propan-2-yl-1H-imidazole;5-methyl-4-propan-2-yl-1H-imidazole;1-methyl-6-propan-2-ylindole;1-methyl-5-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;6-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-indazole;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine (CID 160826387) is 2,5-dimethyl-4-propan-2-yl-1,3-oxazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;3-methyl-5-propan-2-yl-1,2-benzoxazole;2-methyl-5-propan-2-yl-1H-imidazole;5-methyl-4-propan-2-yl-1H-imidazole;1-methyl-6-propan-2-ylindole;1-methyl-5-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;6-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-indazole;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2,5-dimethyl-4-propan-2-yl-1,3-oxazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;3-methyl-5-propan-2-yl-1,2-benzoxazole;2-methyl-5-propan-2-yl-1H-imidazole;5-methyl-4-propan-2-yl-1H-imidazole;1-methyl-6-propan-2-ylindole;1-methyl-5-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;6-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-indazole;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2,5-dimethyl-4-propan-2-yl-1,3-oxazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;3-methyl-5-propan-2-yl-1,2-benzoxazole;2-methyl-5-propan-2-yl-1H-imidazole;5-methyl-4-propan-2-yl-1H-imidazole;1-methyl-6-propan-2-ylindole;1-methyl-5-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;6-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-indazole;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine is CC(C)c1c[nH]c2ncccc12.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2ccn(C)c2c1.CC(C)c1ccc2nccn2c1.CC(C)c1ccnn1C.CC(C)c1cnc[nH]1.Cc1[nH]cnc1C(C)C.Cc1[nH]ncc1C(C)C.Cc1n[nH]c(C)c1C(C)C.Cc1nc(C(C)C)c(C)o1.Cc1ncc(C(C)C)[nH]1.Cc1noc2ccc(C(C)C)cc12.
What is the InChIKey of 2,5-dimethyl-4-propan-2-yl-1,3-oxazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;3-methyl-5-propan-2-yl-1,2-benzoxazole;2-methyl-5-propan-2-yl-1H-imidazole;5-methyl-4-propan-2-yl-1H-imidazole;1-methyl-6-propan-2-ylindole;1-methyl-5-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;6-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-indazole;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is SGFPDFVJAVAOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N.C11H13NO.3C10H12N2.C8H14N2.C8H13NO.4C7H12N2.C6H10N2/c1-9(2)11-5-4-10-6-7-13(3)12(10)8-11;1-7(2)9-4-5-11-10(6-9)8(3)12-13-11;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-8(2)9-3-4-10-11-5-6-12(10)7-9;1-7(2)9-6-12-10-8(9)4-3-5-11-10;1-5(2)8-6(3)9-10-7(8)4;1-5(2)8-6(3)10-7(4)9-8;1-6(2)7-4-5-8-9(7)3;1-5(2)7-6(3)8-4-9-7;1-5(2)7-4-8-6(3)9-7;1-5(2)7-4-8-9-6(7)3;1-5(2)6-3-7-4-8-6/h4-9H,1-3H3;4-7H,1-3H3;3-7H,1-2H3,(H,11,12);3-8H,1-2H3;3-7H,1-2H3,(H,11,12);5H,1-4H3,(H,9,10);5H,1-4H3;4-6H,1-3H3;3*4-5H,1-3H3,(H,8,9);3-5H,1-2H3,(H,7,8).
What are the key properties of 2,5-dimethyl-4-propan-2-yl-1,3-oxazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;3-methyl-5-propan-2-yl-1,2-benzoxazole;2-methyl-5-propan-2-yl-1H-imidazole;5-methyl-4-propan-2-yl-1H-imidazole;1-methyl-6-propan-2-ylindole;1-methyl-5-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;6-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-indazole;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine?
2,5-dimethyl-4-propan-2-yl-1,3-oxazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;3-methyl-5-propan-2-yl-1,2-benzoxazole;2-methyl-5-propan-2-yl-1H-imidazole;5-methyl-4-propan-2-yl-1H-imidazole;1-methyl-6-propan-2-ylindole;1-methyl-5-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;6-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-indazole;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 1713.47 g/mol, XLogP of 27.56, 12 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-propan-2-yl-1,3-oxazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;3-methyl-5-propan-2-yl-1,2-benzoxazole;2-methyl-5-propan-2-yl-1H-imidazole;5-methyl-4-propan-2-yl-1H-imidazole;1-methyl-6-propan-2-ylindole;1-methyl-5-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;6-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-indazole;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 160826387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).