[1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine

C16H20ClN3O — CID 115436481

IUPAC[1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
SMILESNCC1(c2nc(Cc3ccc(Cl)cc3)no2)CCCCC1
InChIInChI=1S/C16H20ClN3O/c17-13-6-4-12(5-7-13)10-14-19-15(21-20-14)16(11-18)8-2-1-3-9-16/h4-7H,1-3,8-11,18H2
InChIKeyUHXWXOZJRIMRIE-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.47
Rot. Bonds4

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

[1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine (PubChem CID 115436481) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is [1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
PubChem CID115436481
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name[1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
SMILESNCC1(c2nc(Cc3ccc(Cl)cc3)no2)CCCCC1
InChIInChI=1S/C16H20ClN3O/c17-13-6-4-12(5-7-13)10-14-19-15(21-20-14)16(11-18)8-2-1-3-9-16/h4-7H,1-3,8-11,18H2
InChIKeyUHXWXOZJRIMRIE-UHFFFAOYSA-N
XLogP3.47
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine
CID 115444540
[1-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
CID 115433795
3-[(4-chlorophenyl)methyl]-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63144516
[1-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
CID 115433724
[1-[3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
CID 115433753
[1-(3-propyl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanamine
CID 115436510
[1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine;hydrochloride
CID 119947677
1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 61291590
ethyl 1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 79480058
1-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 62553229
[1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine
CID 115450888
[1-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine
CID 115446095

Frequently Asked Questions

What is the IUPAC name of [1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
The IUPAC name of [1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine (CID 115436481) is [1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine.
What is the SMILES notation for [1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
The canonical SMILES for [1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine is NCC1(c2nc(Cc3ccc(Cl)cc3)no2)CCCCC1.
What is the InChIKey of [1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
The InChIKey is UHXWXOZJRIMRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c17-13-6-4-12(5-7-13)10-14-19-15(21-20-14)16(11-18)8-2-1-3-9-16/h4-7H,1-3,8-11,18H2.
What are the key properties of [1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
[1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine has a molecular weight of 305.81 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine is sourced from PubChem (CID 115436481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).