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

C17H14ClN3O2 — CID 22946293

IUPAC1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(-c3cnco3)c(Cl)c2)c1
InChIInChI=1S/C17H14ClN3O2/c1-11-3-2-4-12(7-11)20-17(22)21-13-5-6-14(15(18)8-13)16-9-19-10-23-16/h2-10H,1H3,(H2,20,21,22)
InChIKeyPEPPTNBIRWBVEA-UHFFFAOYSA-N
MW327.77 g/mol
LogP4.95
Rot. Bonds3

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

1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-(3-methylphenyl)urea (PubChem CID 22946293) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is 1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-(3-methylphenyl)urea
PubChem CID22946293
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC Name1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(-c3cnco3)c(Cl)c2)c1
InChIInChI=1S/C17H14ClN3O2/c1-11-3-2-4-12(7-11)20-17(22)21-13-5-6-14(15(18)8-13)16-9-19-10-23-16/h2-10H,1H3,(H2,20,21,22)
InChIKeyPEPPTNBIRWBVEA-UHFFFAOYSA-N
XLogP4.95
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Chlorophenyl)-3-[4-(1,3-oxazol-5-yl)phenyl]urea
CID 2806316
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-Chloro-N-(4-(5-oxazolyl)phenyl)benzamide
CID 2739168
N-tert-Butyl-N''-(3-chloro-4-oxazol-5-yl-phenyl)-oxalamide
CID 9901690
N-{2-[2-(3-Chloro-4-oxazol-5-yl-phenylamino)-oxazol-5-yl]-phenyl}-N-methyl-2-morpholin-4-yl-acetamide
CID 21343423
(E)-3-(2-Chloro-phenyl)-N-(3-methoxy-4-oxazol-5-yl-phenyl)-acrylamide
CID 22058555
N-{2-[2-(3-Chloro-4-oxazol-5-yl-phenylamino)-oxazol-5-yl]-phenyl}-2-hydroxy-N-methyl-acetamide
CID 22459779
1-(4-Oxazol-5-yl-phenyl)-3-m-tolyl-urea
CID 22946285
2-chloro-N-(4-(5-phenyloxazol-2-yl)phenyl)benzamide
CID 44549004
2-(2-chlorophenyl)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 76071342

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-(3-methylphenyl)urea (CID 22946293) is 1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)Nc2ccc(-c3cnco3)c(Cl)c2)c1.
What is the InChIKey of 1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-(3-methylphenyl)urea?
The InChIKey is PEPPTNBIRWBVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c1-11-3-2-4-12(7-11)20-17(22)21-13-5-6-14(15(18)8-13)16-9-19-10-23-16/h2-10H,1H3,(H2,20,21,22).
What are the key properties of 1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-(3-methylphenyl)urea?
1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-(3-methylphenyl)urea has a molecular weight of 327.77 g/mol, XLogP of 4.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 22946293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).