4-[3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoylamino]cyclohexane-1-carboxylic acid

C20H24N2O4 — CID 119230028

IUPAC4-[3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoylamino]cyclohexane-1-carboxylic acid
SMILESCc1nc(CCC(=O)NC2CCC(C(=O)O)CC2)oc1-c1ccccc1
InChIInChI=1S/C20H24N2O4/c1-13-19(14-5-3-2-4-6-14)26-18(21-13)12-11-17(23)22-16-9-7-15(8-10-16)20(24)25/h2-6,15-16H,7-12H2,1H3,(H,22,23)(H,24,25)
InChIKeyHUSGQIBHVSDWSH-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.34
Rot. Bonds6

About 4-[3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoylamino]cyclohexane-1-carboxylic acid

4-[3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoylamino]cyclohexane-1-carboxylic acid (PubChem CID 119230028) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 4-[3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoylamino]cyclohexane-1-carboxylic acid
PubChem CID119230028
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name4-[3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoylamino]cyclohexane-1-carboxylic acid
SMILESCc1nc(CCC(=O)NC2CCC(C(=O)O)CC2)oc1-c1ccccc1
InChIInChI=1S/C20H24N2O4/c1-13-19(14-5-3-2-4-6-14)26-18(21-13)12-11-17(23)22-16-9-7-15(8-10-16)20(24)25/h2-6,15-16H,7-12H2,1H3,(H,22,23)(H,24,25)
InChIKeyHUSGQIBHVSDWSH-UHFFFAOYSA-N
XLogP3.34
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoylamino]cyclohexane-1-carboxylic acid 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

3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-pyrrolidin-3-ylpropanamide
CID 119451162
3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)propanamide
CID 166280168
N-(2-cyclopentyl-2-hydroxyethyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide
CID 111425792
3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-methylpiperidin-3-yl)propanamide;dihydrochloride
CID 120576879
N-(2-amino-1-cyclopropylethyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide
CID 119614530
4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119229706
N-(2-aminoethyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 119383262
N-(3-amino-2-methylpropyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 119996718
N-(4-methylcyclohexyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 18136349
3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-piperazin-1-ylethyl)propanamide
CID 119446392
1-[4-(aminomethyl)piperidin-1-yl]-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propan-1-one;dihydrochloride
CID 119423293
cis-(1R,3S)-3-[3-(5-phenyl-1H-pyrrol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 120678122

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoylamino]cyclohexane-1-carboxylic acid (CID 119230028) is 4-[3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoylamino]cyclohexane-1-carboxylic acid is Cc1nc(CCC(=O)NC2CCC(C(=O)O)CC2)oc1-c1ccccc1.
What is the InChIKey of 4-[3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is HUSGQIBHVSDWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-13-19(14-5-3-2-4-6-14)26-18(21-13)12-11-17(23)22-16-9-7-15(8-10-16)20(24)25/h2-6,15-16H,7-12H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 4-[3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoylamino]cyclohexane-1-carboxylic acid?
4-[3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 356.42 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 119230028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).