2-methyl-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide

C15H13N3O2 — CID 110387930

IUPAC2-methyl-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide
SMILESCc1nc2cc(C(=O)NCc3cccnc3)ccc2o1
InChIInChI=1S/C15H13N3O2/c1-10-18-13-7-12(4-5-14(13)20-10)15(19)17-9-11-3-2-6-16-8-11/h2-8H,9H2,1H3,(H,17,19)
InChIKeyLZGKDVZMBPEEJZ-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.46
Rot. Bonds3

About 2-methyl-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide

2-methyl-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide (PubChem CID 110387930) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-methyl-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide
PubChem CID110387930
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name2-methyl-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide
SMILESCc1nc2cc(C(=O)NCc3cccnc3)ccc2o1
InChIInChI=1S/C15H13N3O2/c1-10-18-13-7-12(4-5-14(13)20-10)15(19)17-9-11-3-2-6-16-8-11/h2-8H,9H2,1H3,(H,17,19)
InChIKeyLZGKDVZMBPEEJZ-UHFFFAOYSA-N
XLogP2.46
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 100787087
2-methyl-N-[(2-methylphenyl)methyl]-1,3-benzoxazole-5-carboxamide
CID 110387916
2-methyl-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-sulfonamide
CID 110760524
1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109054359
3-acetamido-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]benzamide
CID 110794896
1-methyl-N-(pyridin-3-ylmethyl)indazole-6-carboxamide
CID 110475596
N-[[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]methyl]pyridine-3-carboxamide
CID 130446005
2,3-bis(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoxaline-6-carboxamide
CID 5073153
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
2-chloro-N-(pyridin-4-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 100787102
5-bromo-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]furan-2-carboxamide
CID 110794899
3-(pyridin-3-ylmethylcarbamoyl)benzoic acid
CID 43452921

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide?
The IUPAC name of 2-methyl-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide (CID 110387930) is 2-methyl-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide is Cc1nc2cc(C(=O)NCc3cccnc3)ccc2o1.
What is the InChIKey of 2-methyl-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide?
The InChIKey is LZGKDVZMBPEEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-10-18-13-7-12(4-5-14(13)20-10)15(19)17-9-11-3-2-6-16-8-11/h2-8H,9H2,1H3,(H,17,19).
What are the key properties of 2-methyl-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide?
2-methyl-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 110387930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).