3-[(4-chlorophenyl)methyl]-N-cyclohexyl-1,2,4-oxadiazol-5-amine

C15H18ClN3O — CID 50905563

IUPAC3-[(4-chlorophenyl)methyl]-N-cyclohexyl-1,2,4-oxadiazol-5-amine
SMILESClc1ccc(Cc2noc(NC3CCCCC3)n2)cc1
InChIInChI=1S/C15H18ClN3O/c16-12-8-6-11(7-9-12)10-14-18-15(20-19-14)17-13-4-2-1-3-5-13/h6-9,13H,1-5,10H2,(H,17,18,19)
InChIKeyVCSRCHPCFSFVRM-UHFFFAOYSA-N
MW291.78 g/mol
LogP4.06
Rot. Bonds4

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

3-[(4-chlorophenyl)methyl]-N-cyclohexyl-1,2,4-oxadiazol-5-amine (PubChem CID 50905563) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-N-cyclohexyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-N-cyclohexyl-1,2,4-oxadiazol-5-amine
PubChem CID50905563
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name3-[(4-chlorophenyl)methyl]-N-cyclohexyl-1,2,4-oxadiazol-5-amine
SMILESClc1ccc(Cc2noc(NC3CCCCC3)n2)cc1
InChIInChI=1S/C15H18ClN3O/c16-12-8-6-11(7-9-12)10-14-18-15(20-19-14)17-13-4-2-1-3-5-13/h6-9,13H,1-5,10H2,(H,17,18,19)
InChIKeyVCSRCHPCFSFVRM-UHFFFAOYSA-N
XLogP4.06
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-N-cyclohexyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-N-cyclohexyl-1,2,4-oxadiazol-5-amine (CID 50905563) is 3-[(4-chlorophenyl)methyl]-N-cyclohexyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-N-cyclohexyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-N-cyclohexyl-1,2,4-oxadiazol-5-amine is Clc1ccc(Cc2noc(NC3CCCCC3)n2)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-N-cyclohexyl-1,2,4-oxadiazol-5-amine?
The InChIKey is VCSRCHPCFSFVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c16-12-8-6-11(7-9-12)10-14-18-15(20-19-14)17-13-4-2-1-3-5-13/h6-9,13H,1-5,10H2,(H,17,18,19).
What are the key properties of 3-[(4-chlorophenyl)methyl]-N-cyclohexyl-1,2,4-oxadiazol-5-amine?
3-[(4-chlorophenyl)methyl]-N-cyclohexyl-1,2,4-oxadiazol-5-amine has a molecular weight of 291.78 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-N-cyclohexyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 50905563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).