1-(1,2-benzoxazol-3-ylmethyl)-3-(6-methyl-2-pyridinyl)urea

C15H14N4O2 — CID 46274745

IUPAC1-(1,2-benzoxazol-3-ylmethyl)-3-(6-methyl-2-pyridinyl)urea
SMILESCc1cccc(NC(=O)NCc2noc3ccccc23)n1
InChIInChI=1S/C15H14N4O2/c1-10-5-4-8-14(17-10)18-15(20)16-9-12-11-6-2-3-7-13(11)21-19-12/h2-8H,9H2,1H3,(H2,16,17,18,20)
InChIKeyOQIUVHSTAAVJPJ-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.85
Rot. Bonds3

About 1-(1,2-benzoxazol-3-ylmethyl)-3-(6-methyl-2-pyridinyl)urea

1-(1,2-benzoxazol-3-ylmethyl)-3-(6-methyl-2-pyridinyl)urea (PubChem CID 46274745) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-(1,2-benzoxazol-3-ylmethyl)-3-(6-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(1,2-benzoxazol-3-ylmethyl)-3-(6-methyl-2-pyridinyl)urea
PubChem CID46274745
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name1-(1,2-benzoxazol-3-ylmethyl)-3-(6-methyl-2-pyridinyl)urea
SMILESCc1cccc(NC(=O)NCc2noc3ccccc23)n1
InChIInChI=1S/C15H14N4O2/c1-10-5-4-8-14(17-10)18-15(20)16-9-12-11-6-2-3-7-13(11)21-19-12/h2-8H,9H2,1H3,(H2,16,17,18,20)
InChIKeyOQIUVHSTAAVJPJ-UHFFFAOYSA-N
XLogP2.85
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-acetylphenyl)-3-(1,2-benzoxazol-3-ylmethyl)urea
CID 126458830
1-(1,2-benzoxazol-3-ylmethyl)-3-(2,4-dimethoxyphenyl)urea
CID 20901312
1-(1,2-benzoxazol-3-ylmethyl)-3-(2,5-dimethoxyphenyl)urea
CID 20901323
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(6-methyl-2-pyridinyl)acetamide
CID 108804393
1-(1,2-benzoxazol-3-ylmethyl)-3-(2-cyclopropyl-2-hydroxypropyl)urea
CID 138004737
1-[(2-methylpyrazol-3-yl)methyl]-3-(6-methyl-2-pyridinyl)urea
CID 75507942
1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(6-methyl-2-pyridinyl)urea
CID 75523319
1-(6-methyl-2-pyridinyl)-3-(2-phenylethyl)urea
CID 108888073
3-(1,2-benzoxazol-3-ylmethyl)-1-methyl-1-(2-methylphenyl)urea
CID 20901345
1-(2-ethylphenyl)-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea
CID 20901555
1-(6-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethyl)urea
CID 934768
1-(2-hydroxyphenyl)-3-(6-methyl-2-pyridinyl)urea
CID 108871496

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-benzoxazol-3-ylmethyl)-3-(6-methyl-2-pyridinyl)urea?
The IUPAC name of 1-(1,2-benzoxazol-3-ylmethyl)-3-(6-methyl-2-pyridinyl)urea (CID 46274745) is 1-(1,2-benzoxazol-3-ylmethyl)-3-(6-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-(1,2-benzoxazol-3-ylmethyl)-3-(6-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-(1,2-benzoxazol-3-ylmethyl)-3-(6-methyl-2-pyridinyl)urea is Cc1cccc(NC(=O)NCc2noc3ccccc23)n1.
What is the InChIKey of 1-(1,2-benzoxazol-3-ylmethyl)-3-(6-methyl-2-pyridinyl)urea?
The InChIKey is OQIUVHSTAAVJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-10-5-4-8-14(17-10)18-15(20)16-9-12-11-6-2-3-7-13(11)21-19-12/h2-8H,9H2,1H3,(H2,16,17,18,20).
What are the key properties of 1-(1,2-benzoxazol-3-ylmethyl)-3-(6-methyl-2-pyridinyl)urea?
1-(1,2-benzoxazol-3-ylmethyl)-3-(6-methyl-2-pyridinyl)urea has a molecular weight of 282.30 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-benzoxazol-3-ylmethyl)-3-(6-methyl-2-pyridinyl)urea is sourced from PubChem (CID 46274745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).