3,4-dimethyl-5-propan-2-yl-1,2-oxazole;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-1,2-thiazole;3-propan-2-yl-1,2-oxazole

C38H69N7O2S — CID 157178042

IUPAC3,4-dimethyl-5-propan-2-yl-1,2-oxazole;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-1,2-thiazole;3-propan-2-yl-1,2-oxazole
SMILESC.C.C.CC(C)c1ccnn1C.CC(C)c1ccon1.CC(C)c1nccn1C.Cc1cc(C(C)C)sn1.Cc1noc(C(C)C)c1C
InChIInChI=1S/C8H13NO.2C7H12N2.C7H11NS.C6H9NO.3CH4/c1-5(2)8-6(3)7(4)9-10-8;1-6(2)7-8-4-5-9(7)3;1-6(2)7-4-5-8-9(7)3;1-5(2)7-4-6(3)8-9-7;1-5(2)6-3-4-8-7-6;;;/h5H,1-4H3;2*4-6H,1-3H3;4-5H,1-3H3;3-5H,1-2H3;3*1H4
InChIKeyAOGBQOSICHDWEB-UHFFFAOYSA-N
MW688.08 g/mol
LogP11.78
Rot. Bonds5

About 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-1,2-thiazole;3-propan-2-yl-1,2-oxazole

3,4-dimethyl-5-propan-2-yl-1,2-oxazole;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-1,2-thiazole;3-propan-2-yl-1,2-oxazole (PubChem CID 157178042) has the molecular formula C38H69N7O2S and a molecular weight of 688.08 g/mol. Its IUPAC name is 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-1,2-thiazole;3-propan-2-yl-1,2-oxazole.

Molecular Properties

Compound Name3,4-dimethyl-5-propan-2-yl-1,2-oxazole;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-1,2-thiazole;3-propan-2-yl-1,2-oxazole
PubChem CID157178042
Molecular FormulaC38H69N7O2S
Molecular Weight688.08 g/mol
Exact Mass687.52
IUPAC Name3,4-dimethyl-5-propan-2-yl-1,2-oxazole;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-1,2-thiazole;3-propan-2-yl-1,2-oxazole
SMILESC.C.C.CC(C)c1ccnn1C.CC(C)c1ccon1.CC(C)c1nccn1C.Cc1cc(C(C)C)sn1.Cc1noc(C(C)C)c1C
InChIInChI=1S/C8H13NO.2C7H12N2.C7H11NS.C6H9NO.3CH4/c1-5(2)8-6(3)7(4)9-10-8;1-6(2)7-8-4-5-9(7)3;1-6(2)7-4-5-8-9(7)3;1-5(2)7-4-6(3)8-9-7;1-5(2)6-3-4-8-7-6;;;/h5H,1-4H3;2*4-6H,1-3H3;4-5H,1-3H3;3-5H,1-2H3;3*1H4
InChIKeyAOGBQOSICHDWEB-UHFFFAOYSA-N
XLogP11.78
TPSA100.59 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.08
LogP ≤ 511.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-1,2-thiazole;3-propan-2-yl-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-1,2-thiazole;3-propan-2-yl-1,2-oxazole?
The IUPAC name of 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-1,2-thiazole;3-propan-2-yl-1,2-oxazole (CID 157178042) is 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-1,2-thiazole;3-propan-2-yl-1,2-oxazole.
What is the SMILES notation for 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-1,2-thiazole;3-propan-2-yl-1,2-oxazole?
The canonical SMILES for 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-1,2-thiazole;3-propan-2-yl-1,2-oxazole is C.C.C.CC(C)c1ccnn1C.CC(C)c1ccon1.CC(C)c1nccn1C.Cc1cc(C(C)C)sn1.Cc1noc(C(C)C)c1C.
What is the InChIKey of 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-1,2-thiazole;3-propan-2-yl-1,2-oxazole?
The InChIKey is AOGBQOSICHDWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO.2C7H12N2.C7H11NS.C6H9NO.3CH4/c1-5(2)8-6(3)7(4)9-10-8;1-6(2)7-8-4-5-9(7)3;1-6(2)7-4-5-8-9(7)3;1-5(2)7-4-6(3)8-9-7;1-5(2)6-3-4-8-7-6;;;/h5H,1-4H3;2*4-6H,1-3H3;4-5H,1-3H3;3-5H,1-2H3;3*1H4.
What are the key properties of 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-1,2-thiazole;3-propan-2-yl-1,2-oxazole?
3,4-dimethyl-5-propan-2-yl-1,2-oxazole;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-1,2-thiazole;3-propan-2-yl-1,2-oxazole has a molecular weight of 688.08 g/mol, XLogP of 11.78, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-5-propan-2-yl-1,2-thiazole;3-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 157178042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).