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

C16H12ClN3O2 — CID 110402542

IUPAC1-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1oncc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H12ClN3O2/c17-12-8-6-11(7-9-12)14-10-18-22-15(14)20-16(21)19-13-4-2-1-3-5-13/h1-10H,(H2,19,20,21)
InChIKeyXPSHZAVNZUTMOD-UHFFFAOYSA-N
MW313.74 g/mol
LogP4.64
Rot. Bonds3

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

1-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-phenylurea (PubChem CID 110402542) has the molecular formula C16H12ClN3O2 and a molecular weight of 313.74 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-phenylurea
PubChem CID110402542
Molecular FormulaC16H12ClN3O2
Molecular Weight313.74 g/mol
Exact Mass313.06
IUPAC Name1-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1oncc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H12ClN3O2/c17-12-8-6-11(7-9-12)14-10-18-22-15(14)20-16(21)19-13-4-2-1-3-5-13/h1-10H,(H2,19,20,21)
InChIKeyXPSHZAVNZUTMOD-UHFFFAOYSA-N
XLogP4.64
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]urea
CID 110402543
1-(3-chlorophenyl)-3-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]urea
CID 110402667
3-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-1,1-dimethylurea
CID 110402559
N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-methoxybenzamide
CID 110402522
1-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-(4-methylphenyl)sulfonylurea
CID 110402562
1-[4-(4-chloroanilino)phenyl]-3-phenylurea
CID 112987034
N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-phenylmethanesulfonamide
CID 110402597
2-(4-chlorophenyl)-N-phenylbenzamide
CID 102340259
1-(4-chlorophenyl)-3-(4-phenyldiazenylphenyl)urea
CID 4677729
1-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-phenylurea
CID 108784173
1-(4-chlorophenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea
CID 46392806
N-(4-phenyl-1,2-oxazol-5-yl)-4-propan-2-ylbenzamide
CID 110402056

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-phenylurea?
The IUPAC name of 1-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-phenylurea (CID 110402542) is 1-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-phenylurea.
What is the SMILES notation for 1-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-phenylurea?
The canonical SMILES for 1-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-phenylurea is O=C(Nc1ccccc1)Nc1oncc1-c1ccc(Cl)cc1.
What is the InChIKey of 1-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-phenylurea?
The InChIKey is XPSHZAVNZUTMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O2/c17-12-8-6-11(7-9-12)14-10-18-22-15(14)20-16(21)19-13-4-2-1-3-5-13/h1-10H,(H2,19,20,21).
What are the key properties of 1-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-phenylurea?
1-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-phenylurea has a molecular weight of 313.74 g/mol, XLogP of 4.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-phenylurea is sourced from PubChem (CID 110402542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).