N-[(4-cyanophenyl)methyl]-N-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide

C19H17N3O2 — CID 167917657

IUPACN-[(4-cyanophenyl)methyl]-N-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESCN(Cc1ccc(C#N)cc1)C(=O)C1=NOC(c2ccccc2)C1
InChIInChI=1S/C19H17N3O2/c1-22(13-15-9-7-14(12-20)8-10-15)19(23)17-11-18(24-21-17)16-5-3-2-4-6-16/h2-10,18H,11,13H2,1H3
InChIKeyOGVCGOLQGYXZJL-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.03
Rot. Bonds4

About N-[(4-cyanophenyl)methyl]-N-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide

N-[(4-cyanophenyl)methyl]-N-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 167917657) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-N-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-N-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
PubChem CID167917657
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC NameN-[(4-cyanophenyl)methyl]-N-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESCN(Cc1ccc(C#N)cc1)C(=O)C1=NOC(c2ccccc2)C1
InChIInChI=1S/C19H17N3O2/c1-22(13-15-9-7-14(12-20)8-10-15)19(23)17-11-18(24-21-17)16-5-3-2-4-6-16/h2-10,18H,11,13H2,1H3
InChIKeyOGVCGOLQGYXZJL-UHFFFAOYSA-N
XLogP3.03
TPSA65.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-N,N-bis(cyanomethyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 95383127
N-(cyanomethyl)-N-cyclopropyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 47462354
(5R)-N-(2-cyanoethyl)-5-phenyl-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 95307040
1-benzyl-N-[(4-cyanophenyl)methyl]-N-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55737990
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 55865096
(5S)-N-(2-cyanoethyl)-5-phenyl-N-(pyridin-2-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 95293003
N-[(4-cyanophenyl)methyl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 39858071
N-[(4-cyanophenyl)methyl]-N-methylnaphthalene-1-carboxamide
CID 39858954
(2R)-3-[benzyl(methyl)amino]-2-[(4-cyanophenyl)methyl]-3-oxopropanoic acid
CID 23519941
N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 47904784
N-[(4-cyanophenyl)methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 134054803
N-[(4-cyanophenyl)methyl]-N,2,3-trimethylbenzamide
CID 39858837

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-N-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-N-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (CID 167917657) is N-[(4-cyanophenyl)methyl]-N-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-N-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-N-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is CN(Cc1ccc(C#N)cc1)C(=O)C1=NOC(c2ccccc2)C1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-N-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The InChIKey is OGVCGOLQGYXZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-22(13-15-9-7-14(12-20)8-10-15)19(23)17-11-18(24-21-17)16-5-3-2-4-6-16/h2-10,18H,11,13H2,1H3.
What are the key properties of N-[(4-cyanophenyl)methyl]-N-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
N-[(4-cyanophenyl)methyl]-N-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-N-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 167917657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).