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

C16H20ClN3O — CID 120851992

IUPAC1-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(C3(c4ccccc4)CC3)n2)CCCC1
InChIInChI=1S/C16H19N3O.ClH/c17-16(8-4-5-9-16)13-18-14(20-19-13)15(10-11-15)12-6-2-1-3-7-12;/h1-3,6-7H,4-5,8-11,17H2;1H
InChIKeyNUYMJTHOIUVKOG-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.30
Rot. Bonds3

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

1-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (PubChem CID 120851992) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 1-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
PubChem CID120851992
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name1-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(C3(c4ccccc4)CC3)n2)CCCC1
InChIInChI=1S/C16H19N3O.ClH/c17-16(8-4-5-9-16)13-18-14(20-19-13)15(10-11-15)12-6-2-1-3-7-12;/h1-3,6-7H,4-5,8-11,17H2;1H
InChIKeyNUYMJTHOIUVKOG-UHFFFAOYSA-N
XLogP3.30
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[1-(4-bromophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862063
1-[5-[1-(4-methoxyphenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853255
1-[5-[4-(4-methylphenyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855460
1-[5-[4-(3-chlorophenyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120852778
1-[5-[1-(2-methylphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862454
[1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
CID 115433755
1-[5-[4-(4-chlorophenyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862203
1-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 62879541
1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 106828746
5-(3-methylpyrrolidin-3-yl)-3-(1-phenylcyclobutyl)-1,2,4-oxadiazole
CID 63145065
1-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]-3-benzylurea;hydrochloride
CID 120855897
1-[5-(2-methyl-3,4-dihydro-1H-naphthalen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120864711

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The IUPAC name of 1-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (CID 120851992) is 1-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is Cl.NC1(c2noc(C3(c4ccccc4)CC3)n2)CCCC1.
What is the InChIKey of 1-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The InChIKey is NUYMJTHOIUVKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O.ClH/c17-16(8-4-5-9-16)13-18-14(20-19-13)15(10-11-15)12-6-2-1-3-7-12;/h1-3,6-7H,4-5,8-11,17H2;1H.
What are the key properties of 1-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
1-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride has a molecular weight of 305.81 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120851992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).