3-cyano-N-[(R)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide

C19H16N4O3 — CID 95379991

IUPAC3-cyano-N-[(R)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
SMILESCOc1ccccc1[C@@H](NC(=O)c1cccc(C#N)c1)c1noc(C)n1
InChIInChI=1S/C19H16N4O3/c1-12-21-18(23-26-12)17(15-8-3-4-9-16(15)25-2)22-19(24)14-7-5-6-13(10-14)11-20/h3-10,17H,1-2H3,(H,22,24)/t17-/m1/s1
InChIKeyDGHVJWCWTOLEDL-QGZVFWFLSA-N
MW348.36 g/mol
LogP2.78
Rot. Bonds5

About 3-cyano-N-[(R)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide

3-cyano-N-[(R)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide (PubChem CID 95379991) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 3-cyano-N-[(R)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[(R)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
PubChem CID95379991
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name3-cyano-N-[(R)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
SMILESCOc1ccccc1[C@@H](NC(=O)c1cccc(C#N)c1)c1noc(C)n1
InChIInChI=1S/C19H16N4O3/c1-12-21-18(23-26-12)17(15-8-3-4-9-16(15)25-2)22-19(24)14-7-5-6-13(10-14)11-20/h3-10,17H,1-2H3,(H,22,24)/t17-/m1/s1
InChIKeyDGHVJWCWTOLEDL-QGZVFWFLSA-N
XLogP2.78
TPSA101.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluoro-N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 95380015
N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-3-carboxamide
CID 95380003
N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,5-thiadiazole-3-carboxamide
CID 124560939
(2S)-N-[(R)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylbutanamide
CID 95380023
N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylbut-2-enamide
CID 95380039
3-cyano-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 95200344
1-[(R)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(1H-pyrazol-4-yl)urea
CID 95769889
(2S)-N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]morpholine-2-carboxamide
CID 124687547
3-(2-aminophenyl)-N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide;hydrochloride
CID 120610826
3-cyano-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 8797978
3-amino-N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohexane-1-carboxamide
CID 119787151
3-cyano-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 24709345

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(R)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide?
The IUPAC name of 3-cyano-N-[(R)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide (CID 95379991) is 3-cyano-N-[(R)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide.
What is the SMILES notation for 3-cyano-N-[(R)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide?
The canonical SMILES for 3-cyano-N-[(R)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide is COc1ccccc1[C@@H](NC(=O)c1cccc(C#N)c1)c1noc(C)n1.
What is the InChIKey of 3-cyano-N-[(R)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide?
The InChIKey is DGHVJWCWTOLEDL-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-12-21-18(23-26-12)17(15-8-3-4-9-16(15)25-2)22-19(24)14-7-5-6-13(10-14)11-20/h3-10,17H,1-2H3,(H,22,24)/t17-/m1/s1.
What are the key properties of 3-cyano-N-[(R)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide?
3-cyano-N-[(R)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide has a molecular weight of 348.36 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[(R)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide is sourced from PubChem (CID 95379991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).