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

C11H10ClN3O2 — CID 108811814

IUPAC1-[(4-chlorophenyl)methyl]-3-(1,2-oxazol-3-yl)urea
SMILESO=C(NCc1ccc(Cl)cc1)Nc1ccon1
InChIInChI=1S/C11H10ClN3O2/c12-9-3-1-8(2-4-9)7-13-11(16)14-10-5-6-17-15-10/h1-6H,7H2,(H2,13,14,15,16)
InChIKeyOSQZRRRRYTUCCS-UHFFFAOYSA-N
MW251.67 g/mol
LogP2.65
Rot. Bonds3

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

1-[(4-chlorophenyl)methyl]-3-(1,2-oxazol-3-yl)urea (PubChem CID 108811814) has the molecular formula C11H10ClN3O2 and a molecular weight of 251.67 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-(1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-(1,2-oxazol-3-yl)urea
PubChem CID108811814
Molecular FormulaC11H10ClN3O2
Molecular Weight251.67 g/mol
Exact Mass251.05
IUPAC Name1-[(4-chlorophenyl)methyl]-3-(1,2-oxazol-3-yl)urea
SMILESO=C(NCc1ccc(Cl)cc1)Nc1ccon1
InChIInChI=1S/C11H10ClN3O2/c12-9-3-1-8(2-4-9)7-13-11(16)14-10-5-6-17-15-10/h1-6H,7H2,(H2,13,14,15,16)
InChIKeyOSQZRRRRYTUCCS-UHFFFAOYSA-N
XLogP2.65
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-pyrimidin-2-ylurea
CID 108899241
3,5-dichloro-N-(1,2-oxazol-3-yl)benzamide
CID 17249127
1-amino-3-[(4-chlorophenyl)methyl]urea
CID 43163863
1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea
CID 2982210
1-[(4-bromophenyl)methyl]-3-(4-chlorophenyl)urea
CID 60968991
N-[3-[(4-chlorophenyl)methylcarbamoylamino]phenyl]acetamide
CID 108884075
1-(1,2,3-benzothiadiazol-5-yl)-3-[(4-chlorophenyl)methyl]urea
CID 23604373
1-[4-(aminomethyl)phenyl]-3-[(4-chlorophenyl)methyl]urea;hydrochloride
CID 166173336
4-chloro-N-(1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 45497358
1-[2-(2-fluorophenyl)ethyl]-3-(1,2-oxazol-3-yl)urea
CID 108812055
1-benzyl-3-(4-chloro-2-pyridinyl)urea
CID 108871348
1-[(4-chlorophenyl)methyl]-3-(2-chloro-3-pyridinyl)urea
CID 47400753

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(1,2-oxazol-3-yl)urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(1,2-oxazol-3-yl)urea (CID 108811814) is 1-[(4-chlorophenyl)methyl]-3-(1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-(1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-(1,2-oxazol-3-yl)urea is O=C(NCc1ccc(Cl)cc1)Nc1ccon1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-(1,2-oxazol-3-yl)urea?
The InChIKey is OSQZRRRRYTUCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2/c12-9-3-1-8(2-4-9)7-13-11(16)14-10-5-6-17-15-10/h1-6H,7H2,(H2,13,14,15,16).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-(1,2-oxazol-3-yl)urea?
1-[(4-chlorophenyl)methyl]-3-(1,2-oxazol-3-yl)urea has a molecular weight of 251.67 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-(1,2-oxazol-3-yl)urea is sourced from PubChem (CID 108811814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).