[(1S,2R)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]cyclohexyl]methanamine

C19H27N5O — CID 167755991

IUPAC[(1S,2R)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]cyclohexyl]methanamine
SMILESNC[C@@H]1CCCC[C@H]1N1CCN(c2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C19H27N5O/c20-14-16-8-4-5-9-17(16)23-10-12-24(13-11-23)19-21-18(22-25-19)15-6-2-1-3-7-15/h1-3,6-7,16-17H,4-5,8-14,20H2/t16-,17+/m0/s1
InChIKeyJCYNEAFIZYKIBR-DLBZAZTESA-N
MW341.46 g/mol
LogP2.38
Rot. Bonds4

About [(1S,2R)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]cyclohexyl]methanamine

[(1S,2R)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]cyclohexyl]methanamine (PubChem CID 167755991) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is [(1S,2R)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[(1S,2R)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]cyclohexyl]methanamine
PubChem CID167755991
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name[(1S,2R)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]cyclohexyl]methanamine
SMILESNC[C@@H]1CCCC[C@H]1N1CCN(c2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C19H27N5O/c20-14-16-8-4-5-9-17(16)23-10-12-24(13-11-23)19-21-18(22-25-19)15-6-2-1-3-7-15/h1-3,6-7,16-17H,4-5,8-14,20H2/t16-,17+/m0/s1
InChIKeyJCYNEAFIZYKIBR-DLBZAZTESA-N
XLogP2.38
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]cyclohexyl]methanamine?
The IUPAC name of [(1S,2R)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]cyclohexyl]methanamine (CID 167755991) is [(1S,2R)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]cyclohexyl]methanamine.
What is the SMILES notation for [(1S,2R)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]cyclohexyl]methanamine?
The canonical SMILES for [(1S,2R)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]cyclohexyl]methanamine is NC[C@@H]1CCCC[C@H]1N1CCN(c2nc(-c3ccccc3)no2)CC1.
What is the InChIKey of [(1S,2R)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]cyclohexyl]methanamine?
The InChIKey is JCYNEAFIZYKIBR-DLBZAZTESA-N. The full InChI is InChI=1S/C19H27N5O/c20-14-16-8-4-5-9-17(16)23-10-12-24(13-11-23)19-21-18(22-25-19)15-6-2-1-3-7-15/h1-3,6-7,16-17H,4-5,8-14,20H2/t16-,17+/m0/s1.
What are the key properties of [(1S,2R)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]cyclohexyl]methanamine?
[(1S,2R)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]cyclohexyl]methanamine has a molecular weight of 341.46 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]cyclohexyl]methanamine is sourced from PubChem (CID 167755991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).