1-(4-chlorophenyl)-3-(1,2-oxazol-5-yl)urea

C10H8ClN3O2 — CID 2744686

IUPAC1-(4-chlorophenyl)-3-(1,2-oxazol-5-yl)urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccno1
InChIInChI=1S/C10H8ClN3O2/c11-7-1-3-8(4-2-7)13-10(15)14-9-5-6-12-16-9/h1-6H,(H2,13,14,15)
InChIKeyNXJZZXFBDDPWGX-UHFFFAOYSA-N
MW237.65 g/mol
LogP2.97
Rot. Bonds2

About 1-(4-chlorophenyl)-3-(1,2-oxazol-5-yl)urea

1-(4-chlorophenyl)-3-(1,2-oxazol-5-yl)urea (PubChem CID 2744686) has the molecular formula C10H8ClN3O2 and a molecular weight of 237.65 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(1,2-oxazol-5-yl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(1,2-oxazol-5-yl)urea
PubChem CID2744686
Molecular FormulaC10H8ClN3O2
Molecular Weight237.65 g/mol
Exact Mass237.03
IUPAC Name1-(4-chlorophenyl)-3-(1,2-oxazol-5-yl)urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccno1
InChIInChI=1S/C10H8ClN3O2/c11-7-1-3-8(4-2-7)13-10(15)14-9-5-6-12-16-9/h1-6H,(H2,13,14,15)
InChIKeyNXJZZXFBDDPWGX-UHFFFAOYSA-N
XLogP2.97
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-Dichlorophenyl)-3-(1,2-oxazol-5-yl)urea
CID 2744685
1-(4-Chloro-phenyl)-3-(5-methyl-isoxazol-3-yl)-urea
CID 290471
N-isoxazol-5-yl-N'-phenylurea
CID 2744683
N-isoxazol-5-yl-N'-(4-methylphenyl)urea
CID 2744684
N-[(2-chlorophenyl)carbamoyl]-1,2-oxazole-5-carboxamide
CID 2744429
1-(1,2-Oxazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 108813936
1-(4-Fluorophenyl)-3-(1,2-oxazol-5-yl)urea
CID 108814003
1-(1,2-Oxazol-5-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 108814216
1-(1,2-Oxazol-5-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 108813927
4-(4-fluorophenyl)-N-(1,2-oxazol-5-yl)piperazine-1-carboxamide
CID 108814011
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-(1,2-oxazol-5-yl)urea
CID 108814022
1-(2-Fluorophenyl)-3-(1,2-oxazol-5-yl)urea
CID 108814054

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(1,2-oxazol-5-yl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(1,2-oxazol-5-yl)urea (CID 2744686) is 1-(4-chlorophenyl)-3-(1,2-oxazol-5-yl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(1,2-oxazol-5-yl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(1,2-oxazol-5-yl)urea is O=C(Nc1ccc(Cl)cc1)Nc1ccno1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(1,2-oxazol-5-yl)urea?
The InChIKey is NXJZZXFBDDPWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O2/c11-7-1-3-8(4-2-7)13-10(15)14-9-5-6-12-16-9/h1-6H,(H2,13,14,15).
What are the key properties of 1-(4-chlorophenyl)-3-(1,2-oxazol-5-yl)urea?
1-(4-chlorophenyl)-3-(1,2-oxazol-5-yl)urea has a molecular weight of 237.65 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(1,2-oxazol-5-yl)urea is sourced from PubChem (CID 2744686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).