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

C23H18ClN3O2 — CID 46377439

IUPAC1-(4-chlorophenyl)-3-[3-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]urea
SMILESCc1ccc(-c2coc(-c3cccc(NC(=O)Nc4ccc(Cl)cc4)c3)n2)cc1
InChIInChI=1S/C23H18ClN3O2/c1-15-5-7-16(8-6-15)21-14-29-22(27-21)17-3-2-4-20(13-17)26-23(28)25-19-11-9-18(24)10-12-19/h2-14H,1H3,(H2,25,26,28)
InChIKeyYFLFOLDXDQTLRY-UHFFFAOYSA-N
MW403.87 g/mol
LogP6.61
Rot. Bonds4

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

1-(4-chlorophenyl)-3-[3-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]urea (PubChem CID 46377439) has the molecular formula C23H18ClN3O2 and a molecular weight of 403.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[3-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[3-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]urea
PubChem CID46377439
Molecular FormulaC23H18ClN3O2
Molecular Weight403.87 g/mol
Exact Mass403.11
IUPAC Name1-(4-chlorophenyl)-3-[3-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]urea
SMILESCc1ccc(-c2coc(-c3cccc(NC(=O)Nc4ccc(Cl)cc4)c3)n2)cc1
InChIInChI=1S/C23H18ClN3O2/c1-15-5-7-16(8-6-15)21-14-29-22(27-21)17-3-2-4-20(13-17)26-23(28)25-19-11-9-18(24)10-12-19/h2-14H,1H3,(H2,25,26,28)
InChIKeyYFLFOLDXDQTLRY-UHFFFAOYSA-N
XLogP6.61
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.87
LogP ≤ 56.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea
CID 46392806
2-fluoro-N-[3-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]benzamide
CID 46377434
1-(4-fluorophenyl)-3-[4-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]urea
CID 50835548
1-(3-chloro-4-methoxyphenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea
CID 46392848
1-(3-acetylphenyl)-3-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]urea
CID 46392854
1-[4-[4-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-3-(4-methylphenyl)urea
CID 50835614
4-methyl-N-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide
CID 50835495
1-(4-chlorophenyl)-3-[3-(6-methoxy-2-pyridinyl)phenyl]urea
CID 135376412
2-(3,4-dichlorophenyl)-N-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 84552918
2-(4-chlorophenyl)-4-phenyl-1,3-oxazole
CID 15358896
1-[4-[4-(3-bromophenyl)-1,3-oxazol-2-yl]phenyl]-3-(2-methoxy-5-methylphenyl)urea
CID 50835711
1-(4-chlorophenyl)-3-[3-(2,6-dichlorophenyl)phenyl]urea
CID 135376465

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[3-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[3-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]urea (CID 46377439) is 1-(4-chlorophenyl)-3-[3-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[3-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[3-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]urea is Cc1ccc(-c2coc(-c3cccc(NC(=O)Nc4ccc(Cl)cc4)c3)n2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[3-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]urea?
The InChIKey is YFLFOLDXDQTLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O2/c1-15-5-7-16(8-6-15)21-14-29-22(27-21)17-3-2-4-20(13-17)26-23(28)25-19-11-9-18(24)10-12-19/h2-14H,1H3,(H2,25,26,28).
What are the key properties of 1-(4-chlorophenyl)-3-[3-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]urea?
1-(4-chlorophenyl)-3-[3-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]urea has a molecular weight of 403.87 g/mol, XLogP of 6.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[3-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]urea is sourced from PubChem (CID 46377439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).