1-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-3-(4-methylphenyl)urea

C25H23N3O2 — CID 50835614

IUPAC1-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(-c3nc(-c4ccc(C)cc4C)co3)cc2)cc1
InChIInChI=1S/C25H23N3O2/c1-16-4-9-20(10-5-16)26-25(29)27-21-11-7-19(8-12-21)24-28-23(15-30-24)22-13-6-17(2)14-18(22)3/h4-15H,1-3H3,(H2,26,27,29)
InChIKeyNBVSLNRCEWFNHB-UHFFFAOYSA-N
MW397.48 g/mol
LogP6.58
Rot. Bonds4

About 1-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-3-(4-methylphenyl)urea

1-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-3-(4-methylphenyl)urea (PubChem CID 50835614) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 1-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-3-(4-methylphenyl)urea
PubChem CID50835614
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Name1-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(-c3nc(-c4ccc(C)cc4C)co3)cc2)cc1
InChIInChI=1S/C25H23N3O2/c1-16-4-9-20(10-5-16)26-25(29)27-21-11-7-19(8-12-21)24-28-23(15-30-24)22-13-6-17(2)14-18(22)3/h4-15H,1-3H3,(H2,26,27,29)
InChIKeyNBVSLNRCEWFNHB-UHFFFAOYSA-N
XLogP6.58
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.48
LogP ≤ 56.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-3-(4-methylphenyl)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-(3,4-dimethoxyphenyl)-3-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]urea
CID 46392853
1-(3-acetylphenyl)-3-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]urea
CID 46392854
1-(1,3-benzodioxol-5-yl)-3-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]urea
CID 46392869
N-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]furan-2-carboxamide
CID 46392772
1-[4-[4-(2,5-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 46392912
1-(4-fluorophenyl)-3-[4-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]urea
CID 50835548
N-[4-[4-(2,5-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-2,2-dimethylpropanamide
CID 46392788
N-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-4-methoxybenzenesulfonamide
CID 20975136
N-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-3-methoxybenzenesulfonamide
CID 46390297
1-(4-chlorophenyl)-3-[3-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]urea
CID 46377439
N-[4-[4-(2,5-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-2-(2-methylphenoxy)acetamide
CID 46392793
1-[4-[4-(3-bromophenyl)-1,3-oxazol-2-yl]phenyl]-3-(2-methoxy-5-methylphenyl)urea
CID 50835711

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-3-(4-methylphenyl)urea (CID 50835614) is 1-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)Nc2ccc(-c3nc(-c4ccc(C)cc4C)co3)cc2)cc1.
What is the InChIKey of 1-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-3-(4-methylphenyl)urea?
The InChIKey is NBVSLNRCEWFNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-16-4-9-20(10-5-16)26-25(29)27-21-11-7-19(8-12-21)24-28-23(15-30-24)22-13-6-17(2)14-18(22)3/h4-15H,1-3H3,(H2,26,27,29).
What are the key properties of 1-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-3-(4-methylphenyl)urea?
1-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-3-(4-methylphenyl)urea has a molecular weight of 397.48 g/mol, XLogP of 6.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 50835614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).