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

C15H18ClN3O — CID 63347506

IUPAC2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1c1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C15H18ClN3O/c1-17-13-5-3-2-4-12(13)15-18-14(19-20-15)10-6-8-11(16)9-7-10/h6-9,12-13,17H,2-5H2,1H3
InChIKeyPTDDDWVNXTXHMZ-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.64
Rot. Bonds3

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

2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine (PubChem CID 63347506) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
PubChem CID63347506
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1c1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C15H18ClN3O/c1-17-13-5-3-2-4-12(13)15-18-14(19-20-15)10-6-8-11(16)9-7-10/h6-9,12-13,17H,2-5H2,1H3
InChIKeyPTDDDWVNXTXHMZ-UHFFFAOYSA-N
XLogP3.64
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cycloheptan-1-amine
CID 63347847
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 63348400
2-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine
CID 107918248
N-methyl-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 65198285
2-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcycloheptan-1-amine
CID 63350862
2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine
CID 63350172
2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylcyclohexan-1-amine
CID 63348266
2-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine
CID 63348630
2-[3-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 107924535
N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)oxan-4-amine
CID 106474300
2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 79085090
2-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclopentan-1-amine
CID 82788071

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine?
The IUPAC name of 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine (CID 63347506) is 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine is CNC1CCCCC1c1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine?
The InChIKey is PTDDDWVNXTXHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-17-13-5-3-2-4-12(13)15-18-14(19-20-15)10-6-8-11(16)9-7-10/h6-9,12-13,17H,2-5H2,1H3.
What are the key properties of 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine?
2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine has a molecular weight of 291.78 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 63347506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).