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

C19H23N3O4 — CID 122003208

IUPAC4-[1-(5-phenyl-1,3-oxazol-2-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
SMILESCC(NC(=O)NC1CCC(C(=O)O)CC1)c1ncc(-c2ccccc2)o1
InChIInChI=1S/C19H23N3O4/c1-12(17-20-11-16(26-17)13-5-3-2-4-6-13)21-19(25)22-15-9-7-14(8-10-15)18(23)24/h2-6,11-12,14-15H,7-10H2,1H3,(H,23,24)(H2,21,22,25)
InChIKeyOGEWEASRZIMRSR-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.35
Rot. Bonds5

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

4-[1-(5-phenyl-1,3-oxazol-2-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 122003208) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 4-[1-(5-phenyl-1,3-oxazol-2-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[1-(5-phenyl-1,3-oxazol-2-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID122003208
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name4-[1-(5-phenyl-1,3-oxazol-2-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
SMILESCC(NC(=O)NC1CCC(C(=O)O)CC1)c1ncc(-c2ccccc2)o1
InChIInChI=1S/C19H23N3O4/c1-12(17-20-11-16(26-17)13-5-3-2-4-6-13)21-19(25)22-15-9-7-14(8-10-15)18(23)24/h2-6,11-12,14-15H,7-10H2,1H3,(H,23,24)(H2,21,22,25)
InChIKeyOGEWEASRZIMRSR-UHFFFAOYSA-N
XLogP3.35
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[1-(5-phenyl-1,3-oxazol-2-yl)ethylcarbamoylamino]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

4-(1-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61196946
4-[[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122011260
1-cyclobutyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]urea
CID 103947062
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]urea
CID 126792890
3-(1-pyridin-2-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66030429
1-cyclohexyl-3-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 25421760
1-cyclohexyl-3-[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 25421755
1-cyclopropyl-3-(1-phenylethyl)urea
CID 42924486
4-amino-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]butanamide
CID 119332446
3-(1-pyridin-3-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66030232
4-[[(1R)-1-(4-chlorophenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122017510
N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]cyclobutanecarboxamide
CID 110660785

Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-phenyl-1,3-oxazol-2-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[1-(5-phenyl-1,3-oxazol-2-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid (CID 122003208) is 4-[1-(5-phenyl-1,3-oxazol-2-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[1-(5-phenyl-1,3-oxazol-2-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[1-(5-phenyl-1,3-oxazol-2-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid is CC(NC(=O)NC1CCC(C(=O)O)CC1)c1ncc(-c2ccccc2)o1.
What is the InChIKey of 4-[1-(5-phenyl-1,3-oxazol-2-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is OGEWEASRZIMRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-12(17-20-11-16(26-17)13-5-3-2-4-6-13)21-19(25)22-15-9-7-14(8-10-15)18(23)24/h2-6,11-12,14-15H,7-10H2,1H3,(H,23,24)(H2,21,22,25).
What are the key properties of 4-[1-(5-phenyl-1,3-oxazol-2-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid?
4-[1-(5-phenyl-1,3-oxazol-2-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 357.41 g/mol, XLogP of 3.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-phenyl-1,3-oxazol-2-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122003208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).