N-methyl-5-(2-oxo-2-pyridin-2-ylethyl)-3-phenyl-1,2-oxazole-4-carboxamide

C18H15N3O3 — CID 22762092

IUPACN-methyl-5-(2-oxo-2-pyridin-2-ylethyl)-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCNC(=O)c1c(-c2ccccc2)noc1CC(=O)c1ccccn1
InChIInChI=1S/C18H15N3O3/c1-19-18(23)16-15(11-14(22)13-9-5-6-10-20-13)24-21-17(16)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,19,23)
InChIKeyRRTQDQQQUYHDRD-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.52
Rot. Bonds5

About N-methyl-5-(2-oxo-2-pyridin-2-ylethyl)-3-phenyl-1,2-oxazole-4-carboxamide

N-methyl-5-(2-oxo-2-pyridin-2-ylethyl)-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 22762092) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is N-methyl-5-(2-oxo-2-pyridin-2-ylethyl)-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(2-oxo-2-pyridin-2-ylethyl)-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID22762092
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC NameN-methyl-5-(2-oxo-2-pyridin-2-ylethyl)-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCNC(=O)c1c(-c2ccccc2)noc1CC(=O)c1ccccn1
InChIInChI=1S/C18H15N3O3/c1-19-18(23)16-15(11-14(22)13-9-5-6-10-20-13)24-21-17(16)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,19,23)
InChIKeyRRTQDQQQUYHDRD-UHFFFAOYSA-N
XLogP2.52
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(2-oxo-2-pyridin-2-ylethyl)-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-methyl-5-(2-oxo-2-pyridin-2-ylethyl)-3-phenyl-1,2-oxazole-4-carboxamide (CID 22762092) is N-methyl-5-(2-oxo-2-pyridin-2-ylethyl)-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-methyl-5-(2-oxo-2-pyridin-2-ylethyl)-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-methyl-5-(2-oxo-2-pyridin-2-ylethyl)-3-phenyl-1,2-oxazole-4-carboxamide is CNC(=O)c1c(-c2ccccc2)noc1CC(=O)c1ccccn1.
What is the InChIKey of N-methyl-5-(2-oxo-2-pyridin-2-ylethyl)-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is RRTQDQQQUYHDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-19-18(23)16-15(11-14(22)13-9-5-6-10-20-13)24-21-17(16)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,19,23).
What are the key properties of N-methyl-5-(2-oxo-2-pyridin-2-ylethyl)-3-phenyl-1,2-oxazole-4-carboxamide?
N-methyl-5-(2-oxo-2-pyridin-2-ylethyl)-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 321.34 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(2-oxo-2-pyridin-2-ylethyl)-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 22762092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).