3-cyano-N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-4-methoxybenzamide

C18H20N4O3 — CID 50755095

IUPAC3-cyano-N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2noc(C3CCCCC3)n2)cc1C#N
InChIInChI=1S/C18H20N4O3/c1-24-15-8-7-13(9-14(15)10-19)17(23)20-11-16-21-18(25-22-16)12-5-3-2-4-6-12/h7-9,12H,2-6,11H2,1H3,(H,20,23)
InChIKeyCTCRCEVFGUBVTR-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.93
Rot. Bonds5

About 3-cyano-N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-4-methoxybenzamide

3-cyano-N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-4-methoxybenzamide (PubChem CID 50755095) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-cyano-N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-cyano-N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-4-methoxybenzamide
PubChem CID50755095
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name3-cyano-N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2noc(C3CCCCC3)n2)cc1C#N
InChIInChI=1S/C18H20N4O3/c1-24-15-8-7-13(9-14(15)10-19)17(23)20-11-16-21-18(25-22-16)12-5-3-2-4-6-12/h7-9,12H,2-6,11H2,1H3,(H,20,23)
InChIKeyCTCRCEVFGUBVTR-UHFFFAOYSA-N
XLogP2.93
TPSA101.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyano-4-methoxy-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 50755069
N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2-(2-methylphenyl)acetamide
CID 50754933
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dimethylbenzamide
CID 50755147
N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2-(trifluoromethyl)benzamide
CID 50755143
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-[4-(1-hydroxypropyl)phenyl]benzamide
CID 121498861
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoropyridine-3-carboxamide
CID 131918823
N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 62342162
5-cyclohexyl-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 957265
N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 77086255
3-(3-hydroxyprop-1-ynyl)-4-methoxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106406620
1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(3,4-dimethoxyphenyl)urea
CID 91917595
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-difluoro-6-methoxy-N-methylbenzamide
CID 91775502

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-4-methoxybenzamide?
The IUPAC name of 3-cyano-N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-4-methoxybenzamide (CID 50755095) is 3-cyano-N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-4-methoxybenzamide.
What is the SMILES notation for 3-cyano-N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-4-methoxybenzamide?
The canonical SMILES for 3-cyano-N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-4-methoxybenzamide is COc1ccc(C(=O)NCc2noc(C3CCCCC3)n2)cc1C#N.
What is the InChIKey of 3-cyano-N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-4-methoxybenzamide?
The InChIKey is CTCRCEVFGUBVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-24-15-8-7-13(9-14(15)10-19)17(23)20-11-16-21-18(25-22-16)12-5-3-2-4-6-12/h7-9,12H,2-6,11H2,1H3,(H,20,23).
What are the key properties of 3-cyano-N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-4-methoxybenzamide?
3-cyano-N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-4-methoxybenzamide has a molecular weight of 340.38 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-4-methoxybenzamide is sourced from PubChem (CID 50755095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).