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

C12H13N3O2 — CID 728587

IUPAC1-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C12H13N3O2/c1-8-3-5-10(6-4-8)13-12(16)14-11-7-9(2)17-15-11/h3-7H,1-2H3,(H2,13,14,15,16)
InChIKeyPKLSEHPDSDVWKT-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.94
Rot. Bonds2

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

1-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)urea (PubChem CID 728587) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 1-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)urea
PubChem CID728587
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name1-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C12H13N3O2/c1-8-3-5-10(6-4-8)13-12(16)14-11-7-9(2)17-15-11/h3-7H,1-2H3,(H2,13,14,15,16)
InChIKeyPKLSEHPDSDVWKT-UHFFFAOYSA-N
XLogP2.94
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)urea?
The IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)urea (CID 728587) is 1-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)urea?
The canonical SMILES for 1-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)Nc2cc(C)on2)cc1.
What is the InChIKey of 1-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)urea?
The InChIKey is PKLSEHPDSDVWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8-3-5-10(6-4-8)13-12(16)14-11-7-9(2)17-15-11/h3-7H,1-2H3,(H2,13,14,15,16).
What are the key properties of 1-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)urea?
1-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)urea has a molecular weight of 231.25 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)urea is sourced from PubChem (CID 728587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).