N-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)-N-pyridin-3-ylacetamide

C21H17N3O3 — CID 11394269

IUPACN-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)-N-pyridin-3-ylacetamide
SMILESCN(C(=O)Cn1c(=O)oc2ccc(-c3ccccc3)cc21)c1cccnc1
InChIInChI=1S/C21H17N3O3/c1-23(17-8-5-11-22-13-17)20(25)14-24-18-12-16(15-6-3-2-4-7-15)9-10-19(18)27-21(24)26/h2-13H,14H2,1H3
InChIKeyJJZSHPQBJIRGMW-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.32
Rot. Bonds4

About N-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)-N-pyridin-3-ylacetamide

N-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)-N-pyridin-3-ylacetamide (PubChem CID 11394269) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)-N-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)-N-pyridin-3-ylacetamide
PubChem CID11394269
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC NameN-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)-N-pyridin-3-ylacetamide
SMILESCN(C(=O)Cn1c(=O)oc2ccc(-c3ccccc3)cc21)c1cccnc1
InChIInChI=1S/C21H17N3O3/c1-23(17-8-5-11-22-13-17)20(25)14-24-18-12-16(15-6-3-2-4-7-15)9-10-19(18)27-21(24)26/h2-13H,14H2,1H3
InChIKeyJJZSHPQBJIRGMW-UHFFFAOYSA-N
XLogP3.32
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)-N-pyridin-3-ylacetamide?
The IUPAC name of N-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)-N-pyridin-3-ylacetamide (CID 11394269) is N-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)-N-pyridin-3-ylacetamide.
What is the SMILES notation for N-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)-N-pyridin-3-ylacetamide?
The canonical SMILES for N-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)-N-pyridin-3-ylacetamide is CN(C(=O)Cn1c(=O)oc2ccc(-c3ccccc3)cc21)c1cccnc1.
What is the InChIKey of N-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)-N-pyridin-3-ylacetamide?
The InChIKey is JJZSHPQBJIRGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-23(17-8-5-11-22-13-17)20(25)14-24-18-12-16(15-6-3-2-4-7-15)9-10-19(18)27-21(24)26/h2-13H,14H2,1H3.
What are the key properties of N-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)-N-pyridin-3-ylacetamide?
N-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)-N-pyridin-3-ylacetamide has a molecular weight of 359.39 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)-N-pyridin-3-ylacetamide is sourced from PubChem (CID 11394269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).