2-(1,2,4-oxadiazol-3-ylmethylamino)cyclopentane-1-carbonitrile

C9H12N4O — CID 106398912

IUPAC2-(1,2,4-oxadiazol-3-ylmethylamino)cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1NCc1ncon1
InChIInChI=1S/C9H12N4O/c10-4-7-2-1-3-8(7)11-5-9-12-6-14-13-9/h6-8,11H,1-3,5H2
InChIKeyVWTRTDFFOQUGRY-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.85
Rot. Bonds3

About 2-(1,2,4-oxadiazol-3-ylmethylamino)cyclopentane-1-carbonitrile

2-(1,2,4-oxadiazol-3-ylmethylamino)cyclopentane-1-carbonitrile (PubChem CID 106398912) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-(1,2,4-oxadiazol-3-ylmethylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-(1,2,4-oxadiazol-3-ylmethylamino)cyclopentane-1-carbonitrile
PubChem CID106398912
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name2-(1,2,4-oxadiazol-3-ylmethylamino)cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1NCc1ncon1
InChIInChI=1S/C9H12N4O/c10-4-7-2-1-3-8(7)11-5-9-12-6-14-13-9/h6-8,11H,1-3,5H2
InChIKeyVWTRTDFFOQUGRY-UHFFFAOYSA-N
XLogP0.85
TPSA74.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)cyclopentan-1-amine
CID 106392392
2-[(6-methyl-3-pyridinyl)methylamino]cyclopentane-1-carbonitrile
CID 62997457
N-(1,2,4-oxadiazol-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 106393192
2-[(5-methyl-1,2-oxazol-3-yl)methylamino]cycloheptane-1-carbonitrile
CID 62742459
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)cyclopentane-1-carbonitrile
CID 55152539
2-[(3-methyl-2-pyridinyl)methylamino]cyclopentane-1-carbonitrile
CID 63305762
2-[(5-ethylthiophen-2-yl)methylamino]cyclopentane-1-carbonitrile
CID 62962759
2-[(2-ethylpyrazol-3-yl)methylamino]cyclopentane-1-carbonitrile
CID 104586979
2-(pyridin-4-ylmethylamino)cycloheptane-1-carbonitrile
CID 62743142
2-[(4-methyl-1,3-thiazol-2-yl)methylamino]cyclohexane-1-carbonitrile
CID 62742062
2-[(2-methylpyrimidin-4-yl)methylamino]cyclohexane-1-carbonitrile
CID 62741149
2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]cyclopentane-1-carbonitrile
CID 79604601

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-oxadiazol-3-ylmethylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-(1,2,4-oxadiazol-3-ylmethylamino)cyclopentane-1-carbonitrile (CID 106398912) is 2-(1,2,4-oxadiazol-3-ylmethylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-(1,2,4-oxadiazol-3-ylmethylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-(1,2,4-oxadiazol-3-ylmethylamino)cyclopentane-1-carbonitrile is N#CC1CCCC1NCc1ncon1.
What is the InChIKey of 2-(1,2,4-oxadiazol-3-ylmethylamino)cyclopentane-1-carbonitrile?
The InChIKey is VWTRTDFFOQUGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c10-4-7-2-1-3-8(7)11-5-9-12-6-14-13-9/h6-8,11H,1-3,5H2.
What are the key properties of 2-(1,2,4-oxadiazol-3-ylmethylamino)cyclopentane-1-carbonitrile?
2-(1,2,4-oxadiazol-3-ylmethylamino)cyclopentane-1-carbonitrile has a molecular weight of 192.22 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-oxadiazol-3-ylmethylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 106398912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).