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

C16H18N4O3 — CID 50755069

IUPAC3-cyano-4-methoxy-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2noc(CC(C)C)n2)cc1C#N
InChIInChI=1S/C16H18N4O3/c1-10(2)6-15-19-14(20-23-15)9-18-16(21)11-4-5-13(22-3)12(7-11)8-17/h4-5,7,10H,6,9H2,1-3H3,(H,18,21)
InChIKeyYVHTWMKIQHSXND-UHFFFAOYSA-N
MW314.35 g/mol
LogP2.08
Rot. Bonds6

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

3-cyano-4-methoxy-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide (PubChem CID 50755069) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 3-cyano-4-methoxy-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide.

Molecular Properties

Compound Name3-cyano-4-methoxy-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
PubChem CID50755069
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name3-cyano-4-methoxy-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2noc(CC(C)C)n2)cc1C#N
InChIInChI=1S/C16H18N4O3/c1-10(2)6-15-19-14(20-23-15)9-18-16(21)11-4-5-13(22-3)12(7-11)8-17/h4-5,7,10H,6,9H2,1-3H3,(H,18,21)
InChIKeyYVHTWMKIQHSXND-UHFFFAOYSA-N
XLogP2.08
TPSA101.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-cyano-4-methoxy-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide with MolForge

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Related Compounds

3-cyano-N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-4-methoxybenzamide
CID 50755095
3-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]imidazole-4-carboxamide
CID 118775391
(3,4-dimethoxyphenyl)-[4-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methanone
CID 55746554
3-(3-hydroxyprop-1-ynyl)-4-methoxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106406620
3-methoxy-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 53049063
N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide
CID 118770027
3,5-dimethoxy-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 51233804
4-butoxy-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 5041101
3-cyano-4-methoxy-N-phenylbenzamide
CID 18626252
2-methoxy-5-propanoylbenzonitrile
CID 39238144
N-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dimethoxybenzamide
CID 6492243
N-[2-[(2-cyanoacetyl)amino]ethyl]-3,4-dimethoxybenzamide
CID 108537248

Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-methoxy-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide?
The IUPAC name of 3-cyano-4-methoxy-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide (CID 50755069) is 3-cyano-4-methoxy-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide.
What is the SMILES notation for 3-cyano-4-methoxy-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide?
The canonical SMILES for 3-cyano-4-methoxy-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide is COc1ccc(C(=O)NCc2noc(CC(C)C)n2)cc1C#N.
What is the InChIKey of 3-cyano-4-methoxy-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide?
The InChIKey is YVHTWMKIQHSXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-10(2)6-15-19-14(20-23-15)9-18-16(21)11-4-5-13(22-3)12(7-11)8-17/h4-5,7,10H,6,9H2,1-3H3,(H,18,21).
What are the key properties of 3-cyano-4-methoxy-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide?
3-cyano-4-methoxy-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide has a molecular weight of 314.35 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4-methoxy-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide is sourced from PubChem (CID 50755069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).