1-[5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine

C16H20ClN3O — CID 107099601

IUPAC1-[5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
SMILESCc1c(Cl)cccc1-c1nc(C2(N)CCC(C)CC2)no1
InChIInChI=1S/C16H20ClN3O/c1-10-6-8-16(18,9-7-10)15-19-14(21-20-15)12-4-3-5-13(17)11(12)2/h3-5,10H,6-9,18H2,1-2H3
InChIKeyJTWLOKRRVPXHAN-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.06
Rot. Bonds2

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

1-[5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine (PubChem CID 107099601) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 1-[5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
PubChem CID107099601
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name1-[5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
SMILESCc1c(Cl)cccc1-c1nc(C2(N)CCC(C)CC2)no1
InChIInChI=1S/C16H20ClN3O/c1-10-6-8-16(18,9-7-10)15-19-14(21-20-15)12-4-3-5-13(17)11(12)2/h3-5,10H,6-9,18H2,1-2H3
InChIKeyJTWLOKRRVPXHAN-UHFFFAOYSA-N
XLogP4.06
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(2-chloro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
CID 106863473
1-[5-(3-bromo-2-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120850184
3-chloro-5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazole
CID 107099625
1-[5-(2-methyl-3-nitrophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120861719
1-[5-(3-chloro-2-nitrophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860795
3-(azetidin-2-yl)-5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazole
CID 90422132
1-[5-(3-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
CID 105064371
4-methyl-1-(5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
CID 102922588
1-[5-(2-chloro-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 81462151
1-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
CID 61353118
1-[5-[(3-chloro-2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851731
1-[5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 107099594

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine?
The IUPAC name of 1-[5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine (CID 107099601) is 1-[5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for 1-[5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine?
The canonical SMILES for 1-[5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine is Cc1c(Cl)cccc1-c1nc(C2(N)CCC(C)CC2)no1.
What is the InChIKey of 1-[5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine?
The InChIKey is JTWLOKRRVPXHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-10-6-8-16(18,9-7-10)15-19-14(21-20-15)12-4-3-5-13(17)11(12)2/h3-5,10H,6-9,18H2,1-2H3.
What are the key properties of 1-[5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine?
1-[5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine has a molecular weight of 305.81 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 107099601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).