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

C16H15N3O3 — CID 110774127

IUPAC2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide
SMILESCn1c(=O)oc2ccc(CC(=O)NCc3ccncc3)cc21
InChIInChI=1S/C16H15N3O3/c1-19-13-8-12(2-3-14(13)22-16(19)21)9-15(20)18-10-11-4-6-17-7-5-11/h2-8H,9-10H2,1H3,(H,18,20)
InChIKeyNZENJQFPBJIAEV-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.39
Rot. Bonds4

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

2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 110774127) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide
PubChem CID110774127
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide
SMILESCn1c(=O)oc2ccc(CC(=O)NCc3ccncc3)cc21
InChIInChI=1S/C16H15N3O3/c1-19-13-8-12(2-3-14(13)22-16(19)21)9-15(20)18-10-11-4-6-17-7-5-11/h2-8H,9-10H2,1H3,(H,18,20)
InChIKeyNZENJQFPBJIAEV-UHFFFAOYSA-N
XLogP1.39
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-2-(2-methylphenyl)acetamide
CID 110786905
2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-(2-methylpropyl)acetamide
CID 110774091
3-chloro-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]propanamide
CID 115162534
N-benzyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 110683274
N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-3-phenylpropanamide
CID 110786871
2-(2-methyl-1,3-benzoxazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 110773812
2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-phenylacetamide
CID 110774161
1-tert-butyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]urea
CID 110775584
N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]cyclopentanecarboxamide
CID 110786846
3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methylamino]-3-oxopropanoic acid
CID 115163423
2-(9-ethylcarbazol-3-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 11110676
methyl 4-[[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetyl]amino]benzoate
CID 110774208

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide (CID 110774127) is 2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide is Cn1c(=O)oc2ccc(CC(=O)NCc3ccncc3)cc21.
What is the InChIKey of 2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is NZENJQFPBJIAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-19-13-8-12(2-3-14(13)22-16(19)21)9-15(20)18-10-11-4-6-17-7-5-11/h2-8H,9-10H2,1H3,(H,18,20).
What are the key properties of 2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide?
2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 297.31 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 110774127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).