N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]-1,3-benzodioxole-5-carboxamide

C21H20N4O4 — CID 71792076

IUPACN-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NC1(c2nc(-c3cccnc3)no2)CCCCC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C21H20N4O4/c26-19(14-6-7-16-17(11-14)28-13-27-16)24-21(8-2-1-3-9-21)20-23-18(25-29-20)15-5-4-10-22-12-15/h4-7,10-12H,1-3,8-9,13H2,(H,24,26)
InChIKeyMXFOODKSOCBAOB-UHFFFAOYSA-N
MW392.42 g/mol
LogP3.45
Rot. Bonds4

About N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]-1,3-benzodioxole-5-carboxamide

N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 71792076) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]-1,3-benzodioxole-5-carboxamide
PubChem CID71792076
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC NameN-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NC1(c2nc(-c3cccnc3)no2)CCCCC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C21H20N4O4/c26-19(14-6-7-16-17(11-14)28-13-27-16)24-21(8-2-1-3-9-21)20-23-18(25-29-20)15-5-4-10-22-12-15/h4-7,10-12H,1-3,8-9,13H2,(H,24,26)
InChIKeyMXFOODKSOCBAOB-UHFFFAOYSA-N
XLogP3.45
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]-1,3-benzodioxole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-fluorophenyl)-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide
CID 53181959
2-ethyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]pyrazole-3-carboxamide
CID 53181966
(2R)-2-phenyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]butanamide
CID 95105668
N-[(5-pyridin-3-yl-3-pyridinyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 131701996
N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110317677
N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-4-methylbenzamide
CID 53182024
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 2231244
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate
CID 55568749
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine;hydrochloride
CID 119947949
3-cyano-N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]benzamide
CID 53181949
4-(1,3-benzodioxol-5-yl)-3-pyridin-3-yl-1,2-oxazol-5-amine
CID 43336149
N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]pyridine-3-carboxamide
CID 6261518

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]-1,3-benzodioxole-5-carboxamide (CID 71792076) is N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]-1,3-benzodioxole-5-carboxamide is O=C(NC1(c2nc(-c3cccnc3)no2)CCCCC1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is MXFOODKSOCBAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c26-19(14-6-7-16-17(11-14)28-13-27-16)24-21(8-2-1-3-9-21)20-23-18(25-29-20)15-5-4-10-22-12-15/h4-7,10-12H,1-3,8-9,13H2,(H,24,26).
What are the key properties of N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]-1,3-benzodioxole-5-carboxamide?
N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 392.42 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 71792076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).