1-(4-chlorophenyl)-3-[4-(1,3-oxazol-5-yl)phenyl]urea

C16H12ClN3O2 — CID 2806316

IUPAC1-(4-chlorophenyl)-3-[4-(1,3-oxazol-5-yl)phenyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2cnco2)cc1
InChIInChI=1S/C16H12ClN3O2/c17-12-3-7-14(8-4-12)20-16(21)19-13-5-1-11(2-6-13)15-9-18-10-22-15/h1-10H,(H2,19,20,21)
InChIKeyXEDXLXAFHLMDKR-UHFFFAOYSA-N
MW313.74 g/mol
LogP4.64
Rot. Bonds3

About 1-(4-chlorophenyl)-3-[4-(1,3-oxazol-5-yl)phenyl]urea

1-(4-chlorophenyl)-3-[4-(1,3-oxazol-5-yl)phenyl]urea (PubChem CID 2806316) has the molecular formula C16H12ClN3O2 and a molecular weight of 313.74 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[4-(1,3-oxazol-5-yl)phenyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[4-(1,3-oxazol-5-yl)phenyl]urea
PubChem CID2806316
Molecular FormulaC16H12ClN3O2
Molecular Weight313.74 g/mol
Exact Mass313.06
IUPAC Name1-(4-chlorophenyl)-3-[4-(1,3-oxazol-5-yl)phenyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2cnco2)cc1
InChIInChI=1S/C16H12ClN3O2/c17-12-3-7-14(8-4-12)20-16(21)19-13-5-1-11(2-6-13)15-9-18-10-22-15/h1-10H,(H2,19,20,21)
InChIKeyXEDXLXAFHLMDKR-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

N,5-Diphenyl-2-oxazolamine
CID 5329404
N-[4-(5-oxazolyl)phenyl]benzamide
CID 2739167
N-(2-chlorobenzoyl)-N'-[4-(1,3-oxazol-5-yl)phenyl]urea
CID 2806313
2,4-difluoro-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide
CID 2739169
4-(1,3-Oxazol-5-yl)aniline
CID 517747
4-Chloro-N-(4-(5-oxazolyl)phenyl)benzamide
CID 2739168
N-tert-Butyl-N''-(3-chloro-4-oxazol-5-yl-phenyl)-oxalamide
CID 9901690
(E)-3-(3-Chloro-phenyl)-N-(3-methoxy-4-oxazol-5-yl-phenyl)-acrylamide
CID 22058499
(E)-3-(4-Chloro-phenyl)-N-(3-methoxy-4-oxazol-5-yl-phenyl)-acrylamide
CID 22058546
(E)-3-(2-Chloro-phenyl)-N-(3-methoxy-4-oxazol-5-yl-phenyl)-acrylamide
CID 22058555
1-(4-Oxazol-5-yl-phenyl)-3-m-tolyl-urea
CID 22946285
1-(3-Chloro-4-oxazol-5-yl-phenyl)-3-m-tolyl-urea
CID 22946293

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[4-(1,3-oxazol-5-yl)phenyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[4-(1,3-oxazol-5-yl)phenyl]urea (CID 2806316) is 1-(4-chlorophenyl)-3-[4-(1,3-oxazol-5-yl)phenyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[4-(1,3-oxazol-5-yl)phenyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[4-(1,3-oxazol-5-yl)phenyl]urea is O=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2cnco2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[4-(1,3-oxazol-5-yl)phenyl]urea?
The InChIKey is XEDXLXAFHLMDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O2/c17-12-3-7-14(8-4-12)20-16(21)19-13-5-1-11(2-6-13)15-9-18-10-22-15/h1-10H,(H2,19,20,21).
What are the key properties of 1-(4-chlorophenyl)-3-[4-(1,3-oxazol-5-yl)phenyl]urea?
1-(4-chlorophenyl)-3-[4-(1,3-oxazol-5-yl)phenyl]urea 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-chlorophenyl)-3-[4-(1,3-oxazol-5-yl)phenyl]urea is sourced from PubChem (CID 2806316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).