2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid

C19H21ClN2O4 — CID 120546102

IUPAC2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid
SMILESCC1(NC(=O)Cc2coc(-c3ccc(Cl)cc3)n2)CCCCC1C(=O)O
InChIInChI=1S/C19H21ClN2O4/c1-19(9-3-2-4-15(19)18(24)25)22-16(23)10-14-11-26-17(21-14)12-5-7-13(20)8-6-12/h5-8,11,15H,2-4,9-10H2,1H3,(H,22,23)(H,24,25)
InChIKeyISOLFGSAVDRYOR-UHFFFAOYSA-N
MW376.84 g/mol
LogP3.69
Rot. Bonds5

About 2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid

2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid (PubChem CID 120546102) has the molecular formula C19H21ClN2O4 and a molecular weight of 376.84 g/mol. Its IUPAC name is 2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid
PubChem CID120546102
Molecular FormulaC19H21ClN2O4
Molecular Weight376.84 g/mol
Exact Mass376.12
IUPAC Name2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid
SMILESCC1(NC(=O)Cc2coc(-c3ccc(Cl)cc3)n2)CCCCC1C(=O)O
InChIInChI=1S/C19H21ClN2O4/c1-19(9-3-2-4-15(19)18(24)25)22-16(23)10-14-11-26-17(21-14)12-5-7-13(20)8-6-12/h5-8,11,15H,2-4,9-10H2,1H3,(H,22,23)(H,24,25)
InChIKeyISOLFGSAVDRYOR-UHFFFAOYSA-N
XLogP3.69
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-2-methylcyclohexane-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

2-methyl-2-[[2-(4-methylphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 120546221
3-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-2-methylpropanoic acid
CID 84588911
2-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]-2-methylcyclohexane-1-carboxylic acid
CID 120546374
2-methyl-2-[(2-phenylacetyl)amino]cyclohexane-1-carboxylic acid
CID 120546506
N-(2-amino-1-cyclohexylethyl)-2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetamide;hydrochloride
CID 119591708
2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide
CID 120556031
2-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid
CID 120546404
2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-3-methylpentanoic acid
CID 119212020
(3S)-1-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]pyrrolidine-3-carboxylic acid
CID 124703265
2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(2-methyl-2-azabicyclo[2.2.2]octan-6-yl)acetamide
CID 167798158
N-(3-aminobutyl)-2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetamide
CID 119499058
3-[(2S)-1-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]piperidin-2-yl]propanoic acid
CID 124699674

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid (CID 120546102) is 2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid is CC1(NC(=O)Cc2coc(-c3ccc(Cl)cc3)n2)CCCCC1C(=O)O.
What is the InChIKey of 2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid?
The InChIKey is ISOLFGSAVDRYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4/c1-19(9-3-2-4-15(19)18(24)25)22-16(23)10-14-11-26-17(21-14)12-5-7-13(20)8-6-12/h5-8,11,15H,2-4,9-10H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid?
2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid has a molecular weight of 376.84 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 120546102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).