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

C23H23N3O4 — CID 66610211

IUPAC4-[5-[4-(phenylcarbamoylamino)phenyl]-1,3-oxazol-2-yl]cyclohexane-1-carboxylic acid
SMILESO=C(Nc1ccccc1)Nc1ccc(-c2cnc(C3CCC(C(=O)O)CC3)o2)cc1
InChIInChI=1S/C23H23N3O4/c27-22(28)17-8-6-16(7-9-17)21-24-14-20(30-21)15-10-12-19(13-11-15)26-23(29)25-18-4-2-1-3-5-18/h1-5,10-14,16-17H,6-9H2,(H,27,28)(H2,25,26,29)
InChIKeyXAIRGEOAJYGURS-UHFFFAOYSA-N
MW405.45 g/mol
LogP5.34
Rot. Bonds5

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

4-[5-[4-(phenylcarbamoylamino)phenyl]-1,3-oxazol-2-yl]cyclohexane-1-carboxylic acid (PubChem CID 66610211) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is 4-[5-[4-(phenylcarbamoylamino)phenyl]-1,3-oxazol-2-yl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[5-[4-(phenylcarbamoylamino)phenyl]-1,3-oxazol-2-yl]cyclohexane-1-carboxylic acid
PubChem CID66610211
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name4-[5-[4-(phenylcarbamoylamino)phenyl]-1,3-oxazol-2-yl]cyclohexane-1-carboxylic acid
SMILESO=C(Nc1ccccc1)Nc1ccc(-c2cnc(C3CCC(C(=O)O)CC3)o2)cc1
InChIInChI=1S/C23H23N3O4/c27-22(28)17-8-6-16(7-9-17)21-24-14-20(30-21)15-10-12-19(13-11-15)26-23(29)25-18-4-2-1-3-5-18/h1-5,10-14,16-17H,6-9H2,(H,27,28)(H2,25,26,29)
InChIKeyXAIRGEOAJYGURS-UHFFFAOYSA-N
XLogP5.34
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.45
LogP ≤ 55.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-[4-[(2-chlorophenyl)carbamoylamino]phenyl]-1,3-oxazol-2-yl]cyclohexane-1-carboxylic acid
CID 66609987
4-[5-[4-[(2-chlorobenzoyl)amino]phenyl]-1,3-oxazol-2-yl]cyclohexane-1-carboxylic acid
CID 66610105
4-[5-[4-(2-chlorobenzoyl)phenyl]-1,3-oxazol-2-yl]cyclohexane-1-carboxylic acid
CID 141330817
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
methyl 4-[5-[4-[(2-chlorobenzoyl)amino]phenyl]-1,3-oxazol-2-yl]cyclohexane-1-carboxylate
CID 66610382
N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]pyrrolidine-3-carboxamide
CID 119730167
N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]pyridine-3-carboxamide
CID 33196301
2-[3-[[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]carbamoyl]phenoxy]acetic acid
CID 166155490
4-(aminomethyl)-N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]oxane-4-carboxamide
CID 120925225
(1R,2S,3S)-2-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide;(1S,2S,3S)-2-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide
CID 158279058
N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-3-piperidin-4-ylbutanamide
CID 119730157

Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-(phenylcarbamoylamino)phenyl]-1,3-oxazol-2-yl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[5-[4-(phenylcarbamoylamino)phenyl]-1,3-oxazol-2-yl]cyclohexane-1-carboxylic acid (CID 66610211) is 4-[5-[4-(phenylcarbamoylamino)phenyl]-1,3-oxazol-2-yl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[5-[4-(phenylcarbamoylamino)phenyl]-1,3-oxazol-2-yl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[5-[4-(phenylcarbamoylamino)phenyl]-1,3-oxazol-2-yl]cyclohexane-1-carboxylic acid is O=C(Nc1ccccc1)Nc1ccc(-c2cnc(C3CCC(C(=O)O)CC3)o2)cc1.
What is the InChIKey of 4-[5-[4-(phenylcarbamoylamino)phenyl]-1,3-oxazol-2-yl]cyclohexane-1-carboxylic acid?
The InChIKey is XAIRGEOAJYGURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c27-22(28)17-8-6-16(7-9-17)21-24-14-20(30-21)15-10-12-19(13-11-15)26-23(29)25-18-4-2-1-3-5-18/h1-5,10-14,16-17H,6-9H2,(H,27,28)(H2,25,26,29).
What are the key properties of 4-[5-[4-(phenylcarbamoylamino)phenyl]-1,3-oxazol-2-yl]cyclohexane-1-carboxylic acid?
4-[5-[4-(phenylcarbamoylamino)phenyl]-1,3-oxazol-2-yl]cyclohexane-1-carboxylic acid has a molecular weight of 405.45 g/mol, XLogP of 5.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-(phenylcarbamoylamino)phenyl]-1,3-oxazol-2-yl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 66610211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).