2-[[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine

C14H16Cl2N4O — CID 106483527

IUPAC2-[[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
SMILESNC1CCCCC1Cc1nc(-c2ncc(Cl)cc2Cl)no1
InChIInChI=1S/C14H16Cl2N4O/c15-9-6-10(16)13(18-7-9)14-19-12(21-20-14)5-8-3-1-2-4-11(8)17/h6-8,11H,1-5,17H2
InChIKeyYBPLEEYMETUPPP-UHFFFAOYSA-N
MW327.22 g/mol
LogP3.50
Rot. Bonds3

About 2-[[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine

2-[[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine (PubChem CID 106483527) has the molecular formula C14H16Cl2N4O and a molecular weight of 327.22 g/mol. Its IUPAC name is 2-[[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-[[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
PubChem CID106483527
Molecular FormulaC14H16Cl2N4O
Molecular Weight327.22 g/mol
Exact Mass326.07
IUPAC Name2-[[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
SMILESNC1CCCCC1Cc1nc(-c2ncc(Cl)cc2Cl)no1
InChIInChI=1S/C14H16Cl2N4O/c15-9-6-10(16)13(18-7-9)14-19-12(21-20-14)5-8-3-1-2-4-11(8)17/h6-8,11H,1-5,17H2
InChIKeyYBPLEEYMETUPPP-UHFFFAOYSA-N
XLogP3.50
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine 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

1-[[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 79845881
2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine
CID 106483279
2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
CID 79780596
1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 79780767
2-[[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483708
[1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine
CID 115446160
2-[[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483547
N-[[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-yn-1-amine
CID 79786155
2-[[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 107282899
2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483329
N-[[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine
CID 79786407
1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylcyclohexan-1-amine
CID 79783090

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
The IUPAC name of 2-[[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine (CID 106483527) is 2-[[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-[[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for 2-[[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine is NC1CCCCC1Cc1nc(-c2ncc(Cl)cc2Cl)no1.
What is the InChIKey of 2-[[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
The InChIKey is YBPLEEYMETUPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N4O/c15-9-6-10(16)13(18-7-9)14-19-12(21-20-14)5-8-3-1-2-4-11(8)17/h6-8,11H,1-5,17H2.
What are the key properties of 2-[[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
2-[[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine has a molecular weight of 327.22 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 106483527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).