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

C23H21ClN2O4 — CID 66610105

IUPAC4-[5-[4-[(2-chlorobenzoyl)amino]phenyl]-1,3-oxazol-2-yl]cyclohexane-1-carboxylic acid
SMILESO=C(Nc1ccc(-c2cnc(C3CCC(C(=O)O)CC3)o2)cc1)c1ccccc1Cl
InChIInChI=1S/C23H21ClN2O4/c24-19-4-2-1-3-18(19)21(27)26-17-11-9-14(10-12-17)20-13-25-22(30-20)15-5-7-16(8-6-15)23(28)29/h1-4,9-13,15-16H,5-8H2,(H,26,27)(H,28,29)
InChIKeyYIDGBKUAFVFABF-UHFFFAOYSA-N
MW424.88 g/mol
LogP5.61
Rot. Bonds5

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

4-[5-[4-[(2-chlorobenzoyl)amino]phenyl]-1,3-oxazol-2-yl]cyclohexane-1-carboxylic acid (PubChem CID 66610105) has the molecular formula C23H21ClN2O4 and a molecular weight of 424.88 g/mol. Its IUPAC name is 4-[5-[4-[(2-chlorobenzoyl)amino]phenyl]-1,3-oxazol-2-yl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[5-[4-[(2-chlorobenzoyl)amino]phenyl]-1,3-oxazol-2-yl]cyclohexane-1-carboxylic acid
PubChem CID66610105
Molecular FormulaC23H21ClN2O4
Molecular Weight424.88 g/mol
Exact Mass424.12
IUPAC Name4-[5-[4-[(2-chlorobenzoyl)amino]phenyl]-1,3-oxazol-2-yl]cyclohexane-1-carboxylic acid
SMILESO=C(Nc1ccc(-c2cnc(C3CCC(C(=O)O)CC3)o2)cc1)c1ccccc1Cl
InChIInChI=1S/C23H21ClN2O4/c24-19-4-2-1-3-18(19)21(27)26-17-11-9-14(10-12-17)20-13-25-22(30-20)15-5-7-16(8-6-15)23(28)29/h1-4,9-13,15-16H,5-8H2,(H,26,27)(H,28,29)
InChIKeyYIDGBKUAFVFABF-UHFFFAOYSA-N
XLogP5.61
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.88
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[5-[4-[(2-chlorobenzoyl)amino]phenyl]-1,3-oxazol-2-yl]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

methyl 4-[5-[4-[(2-chlorobenzoyl)amino]phenyl]-1,3-oxazol-2-yl]cyclohexane-1-carboxylate
CID 66610382
4-[5-[4-(phenylcarbamoylamino)phenyl]-1,3-oxazol-2-yl]cyclohexane-1-carboxylic acid
CID 66610211
4-[5-[4-[(2-chlorophenyl)carbamoylamino]phenyl]-1,3-oxazol-2-yl]cyclohexane-1-carboxylic acid
CID 66609987
4-[5-[4-(2-chlorobenzoyl)phenyl]-1,3-oxazol-2-yl]cyclohexane-1-carboxylic acid
CID 141330817
N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]pyridine-3-carboxamide
CID 33196301
3-amino-N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119730136
2-amino-N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-2-methylpropanamide
CID 119292951
2-[3-[[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]carbamoyl]phenoxy]acetic acid
CID 166155490
N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]pyrrolidine-3-carboxamide
CID 119730167
N-(2-chlorophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 20959107
N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-3-piperidin-4-ylbutanamide
CID 119730157
2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-phenylbenzamide
CID 36704097

Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-[(2-chlorobenzoyl)amino]phenyl]-1,3-oxazol-2-yl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[5-[4-[(2-chlorobenzoyl)amino]phenyl]-1,3-oxazol-2-yl]cyclohexane-1-carboxylic acid (CID 66610105) is 4-[5-[4-[(2-chlorobenzoyl)amino]phenyl]-1,3-oxazol-2-yl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[5-[4-[(2-chlorobenzoyl)amino]phenyl]-1,3-oxazol-2-yl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[5-[4-[(2-chlorobenzoyl)amino]phenyl]-1,3-oxazol-2-yl]cyclohexane-1-carboxylic acid is O=C(Nc1ccc(-c2cnc(C3CCC(C(=O)O)CC3)o2)cc1)c1ccccc1Cl.
What is the InChIKey of 4-[5-[4-[(2-chlorobenzoyl)amino]phenyl]-1,3-oxazol-2-yl]cyclohexane-1-carboxylic acid?
The InChIKey is YIDGBKUAFVFABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O4/c24-19-4-2-1-3-18(19)21(27)26-17-11-9-14(10-12-17)20-13-25-22(30-20)15-5-7-16(8-6-15)23(28)29/h1-4,9-13,15-16H,5-8H2,(H,26,27)(H,28,29).
What are the key properties of 4-[5-[4-[(2-chlorobenzoyl)amino]phenyl]-1,3-oxazol-2-yl]cyclohexane-1-carboxylic acid?
4-[5-[4-[(2-chlorobenzoyl)amino]phenyl]-1,3-oxazol-2-yl]cyclohexane-1-carboxylic acid has a molecular weight of 424.88 g/mol, XLogP of 5.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-[(2-chlorobenzoyl)amino]phenyl]-1,3-oxazol-2-yl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 66610105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).