1-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine

C16H20ClN3O — CID 61353118

IUPAC1-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)(c2noc(Cc3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C16H20ClN3O/c1-11-6-8-16(18,9-7-11)15-19-14(21-20-15)10-12-2-4-13(17)5-3-12/h2-5,11H,6-10,18H2,1H3
InChIKeyLZHLGRKFYKRDIX-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.68
Rot. Bonds3

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

1-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine (PubChem CID 61353118) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 1-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
PubChem CID61353118
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name1-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)(c2noc(Cc3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C16H20ClN3O/c1-11-6-8-16(18,9-7-11)15-19-14(21-20-15)10-12-2-4-13(17)5-3-12/h2-5,11H,6-10,18H2,1H3
InChIKeyLZHLGRKFYKRDIX-UHFFFAOYSA-N
XLogP3.68
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine?
The IUPAC name of 1-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine (CID 61353118) is 1-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for 1-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine?
The canonical SMILES for 1-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine is CC1CCC(N)(c2noc(Cc3ccc(Cl)cc3)n2)CC1.
What is the InChIKey of 1-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine?
The InChIKey is LZHLGRKFYKRDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-11-6-8-16(18,9-7-11)15-19-14(21-20-15)10-12-2-4-13(17)5-3-12/h2-5,11H,6-10,18H2,1H3.
What are the key properties of 1-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine?
1-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine has a molecular weight of 305.81 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 61353118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).