1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-phenylurea

C18H16ClN3O2 — CID 46344183

IUPAC1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-phenylurea
SMILESCc1oc(-c2cccc(Cl)c2)nc1CNC(=O)Nc1ccccc1
InChIInChI=1S/C18H16ClN3O2/c1-12-16(11-20-18(23)21-15-8-3-2-4-9-15)22-17(24-12)13-6-5-7-14(19)10-13/h2-10H,11H2,1H3,(H2,20,21,23)
InChIKeyDBSSLQAMHDSQBM-UHFFFAOYSA-N
MW341.80 g/mol
LogP4.63
Rot. Bonds4

About 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-phenylurea

1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-phenylurea (PubChem CID 46344183) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-phenylurea.

Molecular Properties

Compound Name1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-phenylurea
PubChem CID46344183
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-phenylurea
SMILESCc1oc(-c2cccc(Cl)c2)nc1CNC(=O)Nc1ccccc1
InChIInChI=1S/C18H16ClN3O2/c1-12-16(11-20-18(23)21-15-8-3-2-4-9-15)22-17(24-12)13-6-5-7-14(19)10-13/h2-10H,11H2,1H3,(H2,20,21,23)
InChIKeyDBSSLQAMHDSQBM-UHFFFAOYSA-N
XLogP4.63
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-phenylurea 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-(2-chloro-5-methylphenyl)-3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]urea
CID 46344167
1-(4-fluorophenyl)-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]urea
CID 20955490
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-cyclopentylurea
CID 46344154
4-[[2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]benzamide
CID 110673681
1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 20955623
1-(3,5-dimethylphenyl)-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea
CID 20955580
1-(5-chloro-2-methylphenyl)-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea
CID 20955713
2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-methyl-4-pyridinyl)acetamide
CID 110673683
N-[3-[4-[[[2-(2-chlorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3-methylbutanamide
CID 118754253
N-(4-chlorophenyl)-4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide
CID 46364592
N-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-ethylaniline
CID 141128904
N-[3-[5-methyl-4-[(3-phenylprop-2-ynoylamino)methyl]-1,3-oxazol-2-yl]phenyl]pyridine-2-carboxamide
CID 42213581

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-phenylurea?
The IUPAC name of 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-phenylurea (CID 46344183) is 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-phenylurea.
What is the SMILES notation for 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-phenylurea?
The canonical SMILES for 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-phenylurea is Cc1oc(-c2cccc(Cl)c2)nc1CNC(=O)Nc1ccccc1.
What is the InChIKey of 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-phenylurea?
The InChIKey is DBSSLQAMHDSQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-12-16(11-20-18(23)21-15-8-3-2-4-9-15)22-17(24-12)13-6-5-7-14(19)10-13/h2-10H,11H2,1H3,(H2,20,21,23).
What are the key properties of 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-phenylurea?
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-phenylurea has a molecular weight of 341.80 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-phenylurea is sourced from PubChem (CID 46344183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).