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

C14H16Cl2N4O — CID 79783090

IUPAC1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(N)(c2nc(-c3ncc(Cl)cc3Cl)no2)C1
InChIInChI=1S/C14H16Cl2N4O/c1-8-3-2-4-14(17,6-8)13-19-12(20-21-13)11-10(16)5-9(15)7-18-11/h5,7-8H,2-4,6,17H2,1H3
InChIKeySZTOMMVHJOCCEL-UHFFFAOYSA-N
MW327.22 g/mol
LogP3.80
Rot. Bonds2

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

1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylcyclohexan-1-amine (PubChem CID 79783090) has the molecular formula C14H16Cl2N4O and a molecular weight of 327.22 g/mol. Its IUPAC name is 1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylcyclohexan-1-amine
PubChem CID79783090
Molecular FormulaC14H16Cl2N4O
Molecular Weight327.22 g/mol
Exact Mass326.07
IUPAC Name1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(N)(c2nc(-c3ncc(Cl)cc3Cl)no2)C1
InChIInChI=1S/C14H16Cl2N4O/c1-8-3-2-4-14(17,6-8)13-19-12(20-21-13)11-10(16)5-9(15)7-18-11/h5,7-8H,2-4,6,17H2,1H3
InChIKeySZTOMMVHJOCCEL-UHFFFAOYSA-N
XLogP3.80
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylcyclohexan-1-amine?
The IUPAC name of 1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylcyclohexan-1-amine (CID 79783090) is 1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylcyclohexan-1-amine.
What is the SMILES notation for 1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylcyclohexan-1-amine?
The canonical SMILES for 1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylcyclohexan-1-amine is CC1CCCC(N)(c2nc(-c3ncc(Cl)cc3Cl)no2)C1.
What is the InChIKey of 1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylcyclohexan-1-amine?
The InChIKey is SZTOMMVHJOCCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N4O/c1-8-3-2-4-14(17,6-8)13-19-12(20-21-13)11-10(16)5-9(15)7-18-11/h5,7-8H,2-4,6,17H2,1H3.
What are the key properties of 1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylcyclohexan-1-amine?
1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylcyclohexan-1-amine has a molecular weight of 327.22 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylcyclohexan-1-amine is sourced from PubChem (CID 79783090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).