1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine;hydrochloride

C14H18ClN3O — CID 119999976

IUPAC1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine;hydrochloride
SMILESCc1ccc(-c2noc(C3(N)CCCC3)n2)cc1.Cl
InChIInChI=1S/C14H17N3O.ClH/c1-10-4-6-11(7-5-10)12-16-13(18-17-12)14(15)8-2-3-9-14;/h4-7H,2-3,8-9,15H2,1H3;1H
InChIKeyUOUMPMMFSSMNQS-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.19
Rot. Bonds2

About 1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine;hydrochloride

1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine;hydrochloride (PubChem CID 119999976) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine;hydrochloride
PubChem CID119999976
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine;hydrochloride
SMILESCc1ccc(-c2noc(C3(N)CCCC3)n2)cc1.Cl
InChIInChI=1S/C14H17N3O.ClH/c1-10-4-6-11(7-5-10)12-16-13(18-17-12)14(15)8-2-3-9-14;/h4-7H,2-3,8-9,15H2,1H3;1H
InChIKeyUOUMPMMFSSMNQS-UHFFFAOYSA-N
XLogP3.19
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;hydrochloride
CID 75526673
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 61291995
1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 61291619
1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 61289707
1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine;hydrochloride
CID 119947729
1-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 61289520
1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 63839712
1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine
CID 64672034
1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 62716804
1-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
CID 81162267
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylcyclohexan-1-amine
CID 61291082
1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 62389084

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine;hydrochloride?
The IUPAC name of 1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine;hydrochloride (CID 119999976) is 1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine;hydrochloride.
What is the SMILES notation for 1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine;hydrochloride?
The canonical SMILES for 1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine;hydrochloride is Cc1ccc(-c2noc(C3(N)CCCC3)n2)cc1.Cl.
What is the InChIKey of 1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine;hydrochloride?
The InChIKey is UOUMPMMFSSMNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O.ClH/c1-10-4-6-11(7-5-10)12-16-13(18-17-12)14(15)8-2-3-9-14;/h4-7H,2-3,8-9,15H2,1H3;1H.
What are the key properties of 1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine;hydrochloride?
1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine;hydrochloride has a molecular weight of 279.77 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 119999976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).