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

C26H26N4O3 — CID 98076100

IUPACN-[[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC2CCC(c3nnc(-c4nccc5ccccc45)o3)CC2)c1
InChIInChI=1S/C26H26N4O3/c1-32-21-7-4-6-20(15-21)24(31)28-16-17-9-11-19(12-10-17)25-29-30-26(33-25)23-22-8-3-2-5-18(22)13-14-27-23/h2-8,13-15,17,19H,9-12,16H2,1H3,(H,28,31)
InChIKeyNAJQBMPLMXFCFQ-UHFFFAOYSA-N
MW442.52 g/mol
LogP5.00
Rot. Bonds6

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

N-[[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-3-methoxybenzamide (PubChem CID 98076100) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-[[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-3-methoxybenzamide
PubChem CID98076100
Molecular FormulaC26H26N4O3
Molecular Weight442.52 g/mol
Exact Mass442.20
IUPAC NameN-[[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC2CCC(c3nnc(-c4nccc5ccccc45)o3)CC2)c1
InChIInChI=1S/C26H26N4O3/c1-32-21-7-4-6-20(15-21)24(31)28-16-17-9-11-19(12-10-17)25-29-30-26(33-25)23-22-8-3-2-5-18(22)13-14-27-23/h2-8,13-15,17,19H,9-12,16H2,1H3,(H,28,31)
InChIKeyNAJQBMPLMXFCFQ-UHFFFAOYSA-N
XLogP5.00
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-3-methoxybenzamide with MolForge

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Related Compounds

N-[[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-2-methylbenzamide
CID 98076082
N-[[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]pyridine-2-carboxamide
CID 98076075
N-[[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-2-pyridin-3-ylacetamide
CID 98076083
[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 92560463
N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 98065279
N-[(1-acetylpiperidin-4-yl)methyl]-3-methoxybenzamide
CID 110736146
3,5-difluoro-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]benzamide
CID 98065327
2-(3-methoxyphenyl)-5-methyl-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-pyrrole-3-carboxamide
CID 142279925
3-methoxy-N-[[1-(3-methoxybenzoyl)piperidin-4-yl]methyl]benzamide
CID 17385439
2-fluoro-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]benzamide
CID 98065313
1,2-dimethyl-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]indole-3-carboxamide
CID 98065349
N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-carboxamide
CID 92576803

Frequently Asked Questions

What is the IUPAC name of N-[[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-3-methoxybenzamide?
The IUPAC name of N-[[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-3-methoxybenzamide (CID 98076100) is N-[[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-3-methoxybenzamide.
What is the SMILES notation for N-[[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-3-methoxybenzamide?
The canonical SMILES for N-[[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-3-methoxybenzamide is COc1cccc(C(=O)NCC2CCC(c3nnc(-c4nccc5ccccc45)o3)CC2)c1.
What is the InChIKey of N-[[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-3-methoxybenzamide?
The InChIKey is NAJQBMPLMXFCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3/c1-32-21-7-4-6-20(15-21)24(31)28-16-17-9-11-19(12-10-17)25-29-30-26(33-25)23-22-8-3-2-5-18(22)13-14-27-23/h2-8,13-15,17,19H,9-12,16H2,1H3,(H,28,31).
What are the key properties of N-[[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-3-methoxybenzamide?
N-[[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-3-methoxybenzamide has a molecular weight of 442.52 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-3-methoxybenzamide is sourced from PubChem (CID 98076100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).