5-cyclopropyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,2-oxazole-3-carboxamide

C12H18N2O3S — CID 113239583

IUPAC5-cyclopropyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,2-oxazole-3-carboxamide
SMILESCSCC(C)(O)CNC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C12H18N2O3S/c1-12(16,7-18-2)6-13-11(15)9-5-10(17-14-9)8-3-4-8/h5,8,16H,3-4,6-7H2,1-2H3,(H,13,15)
InChIKeyMVRNBWVTBXLDBJ-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.40
Rot. Bonds6

About 5-cyclopropyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 113239583) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 5-cyclopropyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID113239583
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name5-cyclopropyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,2-oxazole-3-carboxamide
SMILESCSCC(C)(O)CNC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C12H18N2O3S/c1-12(16,7-18-2)6-13-11(15)9-5-10(17-14-9)8-3-4-8/h5,8,16H,3-4,6-7H2,1-2H3,(H,13,15)
InChIKeyMVRNBWVTBXLDBJ-UHFFFAOYSA-N
XLogP1.40
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-cyclopropyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,2-oxazole-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

5-cyclopropyl-N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1,2-oxazole-3-carboxamide
CID 96567152
1-tert-butyl-5-cyclopropyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyrazole-3-carboxamide
CID 111436087
6-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 65284499
N-(2-chloroprop-2-enyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 115636972
N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 95984269
4-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide
CID 113239570
5-cyclopropyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-1,2-oxazole-3-carboxamide
CID 113434991
3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-2,2,3-trimethylbutanoic acid
CID 65261347
N-(1-amino-2-cyclopropylpropan-2-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119575724
5-cyclopropyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 34140596
5-cyclopropyl-N-methylsulfonyl-1,2-oxazole-3-carboxamide
CID 154774184
N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-6-methylpyridine-2-carboxamide
CID 95773940

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,2-oxazole-3-carboxamide (CID 113239583) is 5-cyclopropyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,2-oxazole-3-carboxamide is CSCC(C)(O)CNC(=O)c1cc(C2CC2)on1.
What is the InChIKey of 5-cyclopropyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is MVRNBWVTBXLDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-12(16,7-18-2)6-13-11(15)9-5-10(17-14-9)8-3-4-8/h5,8,16H,3-4,6-7H2,1-2H3,(H,13,15).
What are the key properties of 5-cyclopropyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 270.35 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 113239583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).