1-(3-chloro-4-methylphenyl)-3-(1,2-oxazol-3-yl)urea

C11H10ClN3O2 — CID 6465990

IUPAC1-(3-chloro-4-methylphenyl)-3-(1,2-oxazol-3-yl)urea
SMILESCc1ccc(NC(=O)Nc2ccon2)cc1Cl
InChIInChI=1S/C11H10ClN3O2/c1-7-2-3-8(6-9(7)12)13-11(16)14-10-4-5-17-15-10/h2-6H,1H3,(H2,13,14,15,16)
InChIKeyMHICPJVHCSHMAF-UHFFFAOYSA-N
MW251.67 g/mol
LogP3.28
Rot. Bonds2

About 1-(3-chloro-4-methylphenyl)-3-(1,2-oxazol-3-yl)urea

1-(3-chloro-4-methylphenyl)-3-(1,2-oxazol-3-yl)urea (PubChem CID 6465990) has the molecular formula C11H10ClN3O2 and a molecular weight of 251.67 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3-(1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3-(1,2-oxazol-3-yl)urea
PubChem CID6465990
Molecular FormulaC11H10ClN3O2
Molecular Weight251.67 g/mol
Exact Mass251.05
IUPAC Name1-(3-chloro-4-methylphenyl)-3-(1,2-oxazol-3-yl)urea
SMILESCc1ccc(NC(=O)Nc2ccon2)cc1Cl
InChIInChI=1S/C11H10ClN3O2/c1-7-2-3-8(6-9(7)12)13-11(16)14-10-4-5-17-15-10/h2-6H,1H3,(H2,13,14,15,16)
InChIKeyMHICPJVHCSHMAF-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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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-3-(1,2-oxazol-3-yl)urea?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3-(1,2-oxazol-3-yl)urea (CID 6465990) is 1-(3-chloro-4-methylphenyl)-3-(1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3-(1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3-(1,2-oxazol-3-yl)urea is Cc1ccc(NC(=O)Nc2ccon2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3-(1,2-oxazol-3-yl)urea?
The InChIKey is MHICPJVHCSHMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2/c1-7-2-3-8(6-9(7)12)13-11(16)14-10-4-5-17-15-10/h2-6H,1H3,(H2,13,14,15,16).
What are the key properties of 1-(3-chloro-4-methylphenyl)-3-(1,2-oxazol-3-yl)urea?
1-(3-chloro-4-methylphenyl)-3-(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-(3-chloro-4-methylphenyl)-3-(1,2-oxazol-3-yl)urea is sourced from PubChem (CID 6465990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).