2-phenyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine

C17H23N3O — CID 105402409

IUPAC2-phenyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
SMILESCC(C)c1nc(C2(N)CCCCC2c2ccccc2)no1
InChIInChI=1S/C17H23N3O/c1-12(2)15-19-16(20-21-15)17(18)11-7-6-10-14(17)13-8-4-3-5-9-13/h3-5,8-9,12,14H,6-7,10-11,18H2,1-2H3
InChIKeyOQVYRHNUSIFDFX-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.70
Rot. Bonds3

About 2-phenyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine

2-phenyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine (PubChem CID 105402409) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-phenyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-phenyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
PubChem CID105402409
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-phenyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
SMILESCC(C)c1nc(C2(N)CCCCC2c2ccccc2)no1
InChIInChI=1S/C17H23N3O/c1-12(2)15-19-16(20-21-15)17(18)11-7-6-10-14(17)13-8-4-3-5-9-13/h3-5,8-9,12,14H,6-7,10-11,18H2,1-2H3
InChIKeyOQVYRHNUSIFDFX-UHFFFAOYSA-N
XLogP3.70
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine?
The IUPAC name of 2-phenyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine (CID 105402409) is 2-phenyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine.
What is the SMILES notation for 2-phenyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine?
The canonical SMILES for 2-phenyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine is CC(C)c1nc(C2(N)CCCCC2c2ccccc2)no1.
What is the InChIKey of 2-phenyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine?
The InChIKey is OQVYRHNUSIFDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12(2)15-19-16(20-21-15)17(18)11-7-6-10-14(17)13-8-4-3-5-9-13/h3-5,8-9,12,14H,6-7,10-11,18H2,1-2H3.
What are the key properties of 2-phenyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine?
2-phenyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine is sourced from PubChem (CID 105402409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).