1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile;hydrochloride

C15H17ClN4O — CID 120892726

IUPAC1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile;hydrochloride
SMILESCl.N#CC1(c2nc(-c3ccc(CN)cc3)no2)CCCC1
InChIInChI=1S/C15H16N4O.ClH/c16-9-11-3-5-12(6-4-11)13-18-14(20-19-13)15(10-17)7-1-2-8-15;/h3-6H,1-2,7-9,16H2;1H
InChIKeyBJVJNDKZSNDGGY-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.95
Rot. Bonds3

About 1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile;hydrochloride

1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile;hydrochloride (PubChem CID 120892726) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile;hydrochloride.

Molecular Properties

Compound Name1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile;hydrochloride
PubChem CID120892726
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile;hydrochloride
SMILESCl.N#CC1(c2nc(-c3ccc(CN)cc3)no2)CCCC1
InChIInChI=1S/C15H16N4O.ClH/c16-9-11-3-5-12(6-4-11)13-18-14(20-19-13)15(10-17)7-1-2-8-15;/h3-6H,1-2,7-9,16H2;1H
InChIKeyBJVJNDKZSNDGGY-UHFFFAOYSA-N
XLogP2.95
TPSA88.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile;hydrochloride?
The IUPAC name of 1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile;hydrochloride (CID 120892726) is 1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile;hydrochloride.
What is the SMILES notation for 1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile;hydrochloride?
The canonical SMILES for 1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile;hydrochloride is Cl.N#CC1(c2nc(-c3ccc(CN)cc3)no2)CCCC1.
What is the InChIKey of 1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile;hydrochloride?
The InChIKey is BJVJNDKZSNDGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O.ClH/c16-9-11-3-5-12(6-4-11)13-18-14(20-19-13)15(10-17)7-1-2-8-15;/h3-6H,1-2,7-9,16H2;1H.
What are the key properties of 1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile;hydrochloride?
1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile;hydrochloride has a molecular weight of 304.78 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carbonitrile;hydrochloride is sourced from PubChem (CID 120892726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).