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

C11H10ClN3O2 — CID 975701

IUPAC1-(2-chlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCc1cc(NC(=O)Nc2ccccc2Cl)no1
InChIInChI=1S/C11H10ClN3O2/c1-7-6-10(15-17-7)14-11(16)13-9-5-3-2-4-8(9)12/h2-6H,1H3,(H2,13,14,15,16)
InChIKeyGIMKWKFNPFGPJZ-UHFFFAOYSA-N
MW251.67 g/mol
LogP3.28
Rot. Bonds2

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

1-(2-chlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea (PubChem CID 975701) has the molecular formula C11H10ClN3O2 and a molecular weight of 251.67 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
PubChem CID975701
Molecular FormulaC11H10ClN3O2
Molecular Weight251.67 g/mol
Exact Mass251.05
IUPAC Name1-(2-chlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCc1cc(NC(=O)Nc2ccccc2Cl)no1
InChIInChI=1S/C11H10ClN3O2/c1-7-6-10(15-17-7)14-11(16)13-9-5-3-2-4-8(9)12/h2-6H,1H3,(H2,13,14,15,16)
InChIKeyGIMKWKFNPFGPJZ-UHFFFAOYSA-N
XLogP3.28
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Fluorophenyl)-3-(5-methylisoxazol-3-YL)urea
CID 99331
1-(4-Chlorophenyl)-3-(1,2-oxazol-3-yl)urea
CID 17383719
ST50939513
CID 2813558
N-[5-(tert-butyl)-3-isoxazolyl]-N'-(2,4-dichlorophenyl)urea
CID 2813559
N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-3-isoxazolyl)urea
CID 971773
N-(5-methyl-3-isoxazolyl)-N'-(4-methylphenyl)urea
CID 728587
1-(3-Chlorophenyl)-3-(1,2-oxazol-3-yl)urea
CID 24818583
1-(5-Tert-butyl-1,2-oxazol-3-yl)-3-(4-fluorophenyl)urea
CID 6467399
1-(4-Chloro-phenyl)-3-(5-methyl-isoxazol-3-yl)-urea
CID 290471
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 683178
AK-968/40384983
CID 840580
N-(5-tert-butyl-3-isoxazolyl)-N'-(2,4-difluorophenyl)urea
CID 735913

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-(2-chlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea (CID 975701) is 1-(2-chlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea is Cc1cc(NC(=O)Nc2ccccc2Cl)no1.
What is the InChIKey of 1-(2-chlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
The InChIKey is GIMKWKFNPFGPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2/c1-7-6-10(15-17-7)14-11(16)13-9-5-3-2-4-8(9)12/h2-6H,1H3,(H2,13,14,15,16).
What are the key properties of 1-(2-chlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
1-(2-chlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea has a molecular weight of 251.67 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 975701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).