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

C18H19N3O2 — CID 126821084

IUPAC5-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)-4H-1,2-oxazole-5-carboxamide
SMILESCC1(C(=O)NCCc2ccccn2)CC(c2ccccc2)=NO1
InChIInChI=1S/C18H19N3O2/c1-18(13-16(21-23-18)14-7-3-2-4-8-14)17(22)20-12-10-15-9-5-6-11-19-15/h2-9,11H,10,12-13H2,1H3,(H,20,22)
InChIKeyDQXRIVBEWDOPQB-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.32
Rot. Bonds5

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

5-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)-4H-1,2-oxazole-5-carboxamide (PubChem CID 126821084) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 5-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name5-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)-4H-1,2-oxazole-5-carboxamide
PubChem CID126821084
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name5-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)-4H-1,2-oxazole-5-carboxamide
SMILESCC1(C(=O)NCCc2ccccn2)CC(c2ccccc2)=NO1
InChIInChI=1S/C18H19N3O2/c1-18(13-16(21-23-18)14-7-3-2-4-8-14)17(22)20-12-10-15-9-5-6-11-19-15/h2-9,11H,10,12-13H2,1H3,(H,20,22)
InChIKeyDQXRIVBEWDOPQB-UHFFFAOYSA-N
XLogP2.32
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-5-methyl-3-phenyl-N-(2-phenylethyl)-4H-1,2-oxazole-5-carboxamide
CID 97465490
(5S)-N-(3-methoxypropyl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 97465461
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 91954151
N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 16673219
(5R)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 95051942
5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 53016965
4-amino-N-(2-pyridin-2-ylethyl)oxane-4-carboxamide
CID 113280565
3-methyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide;dihydrochloride
CID 119946078
1-amino-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 24704991
1-tert-butyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 51357520
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
(5R)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 100815919

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of 5-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)-4H-1,2-oxazole-5-carboxamide (CID 126821084) is 5-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 5-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for 5-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)-4H-1,2-oxazole-5-carboxamide is CC1(C(=O)NCCc2ccccn2)CC(c2ccccc2)=NO1.
What is the InChIKey of 5-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)-4H-1,2-oxazole-5-carboxamide?
The InChIKey is DQXRIVBEWDOPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-18(13-16(21-23-18)14-7-3-2-4-8-14)17(22)20-12-10-15-9-5-6-11-19-15/h2-9,11H,10,12-13H2,1H3,(H,20,22).
What are the key properties of 5-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)-4H-1,2-oxazole-5-carboxamide?
5-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)-4H-1,2-oxazole-5-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 126821084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).