1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine

C17H17N3O — CID 62715874

IUPAC1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
SMILESNC1(c2nc(-c3cccc4ccccc34)no2)CCCC1
InChIInChI=1S/C17H17N3O/c18-17(10-3-4-11-17)16-19-15(20-21-16)14-9-5-7-12-6-1-2-8-13(12)14/h1-2,5-9H,3-4,10-11,18H2
InChIKeyVBWVZOUZDQRVKB-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.62
Rot. Bonds2

About 1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine

1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine (PubChem CID 62715874) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
PubChem CID62715874
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
SMILESNC1(c2nc(-c3cccc4ccccc34)no2)CCCC1
InChIInChI=1S/C17H17N3O/c18-17(10-3-4-11-17)16-19-15(20-21-16)14-9-5-7-12-6-1-2-8-13(12)14/h1-2,5-9H,3-4,10-11,18H2
InChIKeyVBWVZOUZDQRVKB-UHFFFAOYSA-N
XLogP3.62
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)cyclobutan-1-amine
CID 81165365
1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 62716117
1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 62716804
1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 62389084
1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 61292346
4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 115292579
5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-naphthalen-1-yl-1,2,4-oxadiazole;hydrochloride
CID 120841238
1-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
CID 81274229
1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine;hydrochloride
CID 119999976
(4S)-4-methyl-4-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)piperidin-2-one
CID 164640801
1-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
CID 81162267
(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride
CID 121237656

Frequently Asked Questions

What is the IUPAC name of 1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine?
The IUPAC name of 1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine (CID 62715874) is 1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine.
What is the SMILES notation for 1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine?
The canonical SMILES for 1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine is NC1(c2nc(-c3cccc4ccccc34)no2)CCCC1.
What is the InChIKey of 1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine?
The InChIKey is VBWVZOUZDQRVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c18-17(10-3-4-11-17)16-19-15(20-21-16)14-9-5-7-12-6-1-2-8-13(12)14/h1-2,5-9H,3-4,10-11,18H2.
What are the key properties of 1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine?
1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine has a molecular weight of 279.34 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine is sourced from PubChem (CID 62715874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).