2-(2-methyl-1,3-benzoxazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide

C16H15N3O2 — CID 110773812

IUPAC2-(2-methyl-1,3-benzoxazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide
SMILESCc1nc2cc(CC(=O)NCc3ccncc3)ccc2o1
InChIInChI=1S/C16H15N3O2/c1-11-19-14-8-13(2-3-15(14)21-11)9-16(20)18-10-12-4-6-17-7-5-12/h2-8H,9-10H2,1H3,(H,18,20)
InChIKeyGHFQLIWPANRGKK-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.39
Rot. Bonds4

About 2-(2-methyl-1,3-benzoxazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide

2-(2-methyl-1,3-benzoxazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 110773812) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-(2-methyl-1,3-benzoxazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-1,3-benzoxazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide
PubChem CID110773812
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name2-(2-methyl-1,3-benzoxazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide
SMILESCc1nc2cc(CC(=O)NCc3ccncc3)ccc2o1
InChIInChI=1S/C16H15N3O2/c1-11-19-14-8-13(2-3-15(14)21-11)9-16(20)18-10-12-4-6-17-7-5-12/h2-8H,9-10H2,1H3,(H,18,20)
InChIKeyGHFQLIWPANRGKK-UHFFFAOYSA-N
XLogP2.39
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]acetamide
CID 110786404
2-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-methylbutyl)acetamide
CID 110773848
2-(2-methyl-1,3-benzoxazol-5-yl)acetic acid
CID 1478196
2-(2-methyl-1,3-benzoxazol-5-yl)-N-propan-2-ylacetamide
CID 110773772
N-[(4-methoxyphenyl)methyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390584
5-bromo-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]furan-2-carboxamide
CID 110794899
N-(3-acetamidophenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 110773893
2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 110774127
4-(acetamidomethyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 34304149
3-acetamido-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]benzamide
CID 110794896
2-(2-chlorophenyl)-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]acetamide
CID 110707532
1-[(2-methyl-1,3-benzoxazol-5-yl)methyl]-3-phenylurea
CID 110775538

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-benzoxazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-(2-methyl-1,3-benzoxazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide (CID 110773812) is 2-(2-methyl-1,3-benzoxazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-methyl-1,3-benzoxazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(2-methyl-1,3-benzoxazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide is Cc1nc2cc(CC(=O)NCc3ccncc3)ccc2o1.
What is the InChIKey of 2-(2-methyl-1,3-benzoxazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is GHFQLIWPANRGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-11-19-14-8-13(2-3-15(14)21-11)9-16(20)18-10-12-4-6-17-7-5-12/h2-8H,9-10H2,1H3,(H,18,20).
What are the key properties of 2-(2-methyl-1,3-benzoxazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide?
2-(2-methyl-1,3-benzoxazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 281.31 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-benzoxazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 110773812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).