cyclohexyl-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine

C14H18N4O — CID 54901636

IUPACcyclohexyl-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine
SMILESNC(c1nc(-c2ccccn2)no1)C1CCCCC1
InChIInChI=1S/C14H18N4O/c15-12(10-6-2-1-3-7-10)14-17-13(18-19-14)11-8-4-5-9-16-11/h4-5,8-10,12H,1-3,6-7,15H2
InChIKeyJMKBICZJBHNDSR-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.71
Rot. Bonds3

About cyclohexyl-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine

cyclohexyl-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine (PubChem CID 54901636) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is cyclohexyl-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine.

Molecular Properties

Compound Namecyclohexyl-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine
PubChem CID54901636
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Namecyclohexyl-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine
SMILESNC(c1nc(-c2ccccn2)no1)C1CCCCC1
InChIInChI=1S/C14H18N4O/c15-12(10-6-2-1-3-7-10)14-17-13(18-19-14)11-8-4-5-9-16-11/h4-5,8-10,12H,1-3,6-7,15H2
InChIKeyJMKBICZJBHNDSR-UHFFFAOYSA-N
XLogP2.71
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine?
The IUPAC name of cyclohexyl-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine (CID 54901636) is cyclohexyl-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine.
What is the SMILES notation for cyclohexyl-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine?
The canonical SMILES for cyclohexyl-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine is NC(c1nc(-c2ccccn2)no1)C1CCCCC1.
What is the InChIKey of cyclohexyl-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine?
The InChIKey is JMKBICZJBHNDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c15-12(10-6-2-1-3-7-10)14-17-13(18-19-14)11-8-4-5-9-16-11/h4-5,8-10,12H,1-3,6-7,15H2.
What are the key properties of cyclohexyl-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine?
cyclohexyl-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine has a molecular weight of 258.32 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine is sourced from PubChem (CID 54901636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).