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

C21H17N3O3 — CID 23153725

IUPACN-methyl-2-(2-oxo-5-pyridin-3-yl-1,3-benzoxazol-3-yl)-N-phenylacetamide
SMILESCN(C(=O)Cn1c(=O)oc2ccc(-c3cccnc3)cc21)c1ccccc1
InChIInChI=1S/C21H17N3O3/c1-23(17-7-3-2-4-8-17)20(25)14-24-18-12-15(16-6-5-11-22-13-16)9-10-19(18)27-21(24)26/h2-13H,14H2,1H3
InChIKeyHRBDNQPUZCPDTA-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.32
Rot. Bonds4

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

N-methyl-2-(2-oxo-5-pyridin-3-yl-1,3-benzoxazol-3-yl)-N-phenylacetamide (PubChem CID 23153725) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-methyl-2-(2-oxo-5-pyridin-3-yl-1,3-benzoxazol-3-yl)-N-phenylacetamide.

Molecular Properties

Compound NameN-methyl-2-(2-oxo-5-pyridin-3-yl-1,3-benzoxazol-3-yl)-N-phenylacetamide
PubChem CID23153725
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC NameN-methyl-2-(2-oxo-5-pyridin-3-yl-1,3-benzoxazol-3-yl)-N-phenylacetamide
SMILESCN(C(=O)Cn1c(=O)oc2ccc(-c3cccnc3)cc21)c1ccccc1
InChIInChI=1S/C21H17N3O3/c1-23(17-7-3-2-4-8-17)20(25)14-24-18-12-15(16-6-5-11-22-13-16)9-10-19(18)27-21(24)26/h2-13H,14H2,1H3
InChIKeyHRBDNQPUZCPDTA-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-pyridin-3-yl-1,3-benzoxazol-3-yl)-N-phenylacetamide?
The IUPAC name of N-methyl-2-(2-oxo-5-pyridin-3-yl-1,3-benzoxazol-3-yl)-N-phenylacetamide (CID 23153725) is N-methyl-2-(2-oxo-5-pyridin-3-yl-1,3-benzoxazol-3-yl)-N-phenylacetamide.
What is the SMILES notation for N-methyl-2-(2-oxo-5-pyridin-3-yl-1,3-benzoxazol-3-yl)-N-phenylacetamide?
The canonical SMILES for N-methyl-2-(2-oxo-5-pyridin-3-yl-1,3-benzoxazol-3-yl)-N-phenylacetamide is CN(C(=O)Cn1c(=O)oc2ccc(-c3cccnc3)cc21)c1ccccc1.
What is the InChIKey of N-methyl-2-(2-oxo-5-pyridin-3-yl-1,3-benzoxazol-3-yl)-N-phenylacetamide?
The InChIKey is HRBDNQPUZCPDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-23(17-7-3-2-4-8-17)20(25)14-24-18-12-15(16-6-5-11-22-13-16)9-10-19(18)27-21(24)26/h2-13H,14H2,1H3.
What are the key properties of N-methyl-2-(2-oxo-5-pyridin-3-yl-1,3-benzoxazol-3-yl)-N-phenylacetamide?
N-methyl-2-(2-oxo-5-pyridin-3-yl-1,3-benzoxazol-3-yl)-N-phenylacetamide 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-pyridin-3-yl-1,3-benzoxazol-3-yl)-N-phenylacetamide is sourced from PubChem (CID 23153725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).