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

C13H17N5O — CID 64672623

IUPAC1-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine
SMILESNC1(Cc2nc(-c3ncccn3)no2)CCCCC1
InChIInChI=1S/C13H17N5O/c14-13(5-2-1-3-6-13)9-10-17-12(18-19-10)11-15-7-4-8-16-11/h4,7-8H,1-3,5-6,9,14H2
InChIKeyNGKRJXRJLQICSL-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.73
Rot. Bonds3

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

1-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine (PubChem CID 64672623) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine
PubChem CID64672623
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name1-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine
SMILESNC1(Cc2nc(-c3ncccn3)no2)CCCCC1
InChIInChI=1S/C13H17N5O/c14-13(5-2-1-3-6-13)9-10-17-12(18-19-10)11-15-7-4-8-16-11/h4,7-8H,1-3,5-6,9,14H2
InChIKeyNGKRJXRJLQICSL-UHFFFAOYSA-N
XLogP1.73
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 1-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine (CID 64672623) is 1-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 1-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine is NC1(Cc2nc(-c3ncccn3)no2)CCCCC1.
What is the InChIKey of 1-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine?
The InChIKey is NGKRJXRJLQICSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c14-13(5-2-1-3-6-13)9-10-17-12(18-19-10)11-15-7-4-8-16-11/h4,7-8H,1-3,5-6,9,14H2.
What are the key properties of 1-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine?
1-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine has a molecular weight of 259.31 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 64672623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).