1-[(1S,2R)-2-methylcyclohexyl]-3-(3-methyl-5-phenyl-1,2-oxazol-4-yl)urea

C18H23N3O2 — CID 97307899

IUPAC1-[(1S,2R)-2-methylcyclohexyl]-3-(3-methyl-5-phenyl-1,2-oxazol-4-yl)urea
SMILESCc1noc(-c2ccccc2)c1NC(=O)N[C@H]1CCCC[C@H]1C
InChIInChI=1S/C18H23N3O2/c1-12-8-6-7-11-15(12)19-18(22)20-16-13(2)21-23-17(16)14-9-4-3-5-10-14/h3-5,9-10,12,15H,6-8,11H2,1-2H3,(H2,19,20,22)/t12-,15+/m1/s1
InChIKeyWCXUJDUXMGBZEZ-DOMZBBRYSA-N
MW313.40 g/mol
LogP4.35
Rot. Bonds3

About 1-[(1S,2R)-2-methylcyclohexyl]-3-(3-methyl-5-phenyl-1,2-oxazol-4-yl)urea

1-[(1S,2R)-2-methylcyclohexyl]-3-(3-methyl-5-phenyl-1,2-oxazol-4-yl)urea (PubChem CID 97307899) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-[(1S,2R)-2-methylcyclohexyl]-3-(3-methyl-5-phenyl-1,2-oxazol-4-yl)urea.

Molecular Properties

Compound Name1-[(1S,2R)-2-methylcyclohexyl]-3-(3-methyl-5-phenyl-1,2-oxazol-4-yl)urea
PubChem CID97307899
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-[(1S,2R)-2-methylcyclohexyl]-3-(3-methyl-5-phenyl-1,2-oxazol-4-yl)urea
SMILESCc1noc(-c2ccccc2)c1NC(=O)N[C@H]1CCCC[C@H]1C
InChIInChI=1S/C18H23N3O2/c1-12-8-6-7-11-15(12)19-18(22)20-16-13(2)21-23-17(16)14-9-4-3-5-10-14/h3-5,9-10,12,15H,6-8,11H2,1-2H3,(H2,19,20,22)/t12-,15+/m1/s1
InChIKeyWCXUJDUXMGBZEZ-DOMZBBRYSA-N
XLogP4.35
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(1S,2R)-2-methylcyclohexyl]-3-(3-methyl-5-phenyl-1,2-oxazol-4-yl)urea 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

1-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]-3-(2,2,2-trifluoroethyl)urea
CID 141295939
1-(2-methylcyclohexyl)-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 47032242
2-methyl-N-[(1S,2R)-2-methylcyclohexyl]-6-phenylpyridine-3-carboxamide
CID 31847366
1-[(1R,2S)-2-methylcyclopentyl]-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
CID 99804569
1-(furan-2-yl)-3-(2-methylcyclohexyl)urea
CID 108868492
1-[(2,6-difluorophenyl)methyl]-3-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]urea
CID 141295972
[3-methyl-5-[4-[4-(2-methylpyrrolidin-1-yl)phenyl]phenyl]-1,2-oxazol-4-yl]carbamic acid
CID 144533546
1-benzhydryl-3-(2-methylcyclohexyl)urea
CID 108867484
4-[(2-methylcyclohexyl)carbamoylamino]benzoic acid
CID 61191186
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316
1-(2-methoxyphenyl)-3-[(1R,2R)-2-methylcyclohexyl]urea
CID 40636375
N-hydroxy-4-[1-[(3-methyl-5-phenyl-1,2-oxazol-4-yl)carbamoylamino]ethyl]benzamide
CID 58417341

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-methylcyclohexyl]-3-(3-methyl-5-phenyl-1,2-oxazol-4-yl)urea?
The IUPAC name of 1-[(1S,2R)-2-methylcyclohexyl]-3-(3-methyl-5-phenyl-1,2-oxazol-4-yl)urea (CID 97307899) is 1-[(1S,2R)-2-methylcyclohexyl]-3-(3-methyl-5-phenyl-1,2-oxazol-4-yl)urea.
What is the SMILES notation for 1-[(1S,2R)-2-methylcyclohexyl]-3-(3-methyl-5-phenyl-1,2-oxazol-4-yl)urea?
The canonical SMILES for 1-[(1S,2R)-2-methylcyclohexyl]-3-(3-methyl-5-phenyl-1,2-oxazol-4-yl)urea is Cc1noc(-c2ccccc2)c1NC(=O)N[C@H]1CCCC[C@H]1C.
What is the InChIKey of 1-[(1S,2R)-2-methylcyclohexyl]-3-(3-methyl-5-phenyl-1,2-oxazol-4-yl)urea?
The InChIKey is WCXUJDUXMGBZEZ-DOMZBBRYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-12-8-6-7-11-15(12)19-18(22)20-16-13(2)21-23-17(16)14-9-4-3-5-10-14/h3-5,9-10,12,15H,6-8,11H2,1-2H3,(H2,19,20,22)/t12-,15+/m1/s1.
What are the key properties of 1-[(1S,2R)-2-methylcyclohexyl]-3-(3-methyl-5-phenyl-1,2-oxazol-4-yl)urea?
1-[(1S,2R)-2-methylcyclohexyl]-3-(3-methyl-5-phenyl-1,2-oxazol-4-yl)urea has a molecular weight of 313.40 g/mol, XLogP of 4.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-methylcyclohexyl]-3-(3-methyl-5-phenyl-1,2-oxazol-4-yl)urea is sourced from PubChem (CID 97307899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).