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

C17H17N3O — CID 60921785

IUPAC3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)naphthalen-2-amine
SMILESNc1cc2ccccc2cc1-c1nc(C2CCCC2)no1
InChIInChI=1S/C17H17N3O/c18-15-10-13-8-4-3-7-12(13)9-14(15)17-19-16(20-21-17)11-5-1-2-6-11/h3-4,7-11H,1-2,5-6,18H2
InChIKeyMZXURGZBXZGZKD-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.13
Rot. Bonds2

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

3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)naphthalen-2-amine (PubChem CID 60921785) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)naphthalen-2-amine.

Molecular Properties

Compound Name3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)naphthalen-2-amine
PubChem CID60921785
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)naphthalen-2-amine
SMILESNc1cc2ccccc2cc1-c1nc(C2CCCC2)no1
InChIInChI=1S/C17H17N3O/c18-15-10-13-8-4-3-7-12(13)9-14(15)17-19-16(20-21-17)11-5-1-2-6-11/h3-4,7-11H,1-2,5-6,18H2
InChIKeyMZXURGZBXZGZKD-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-4-methylaniline
CID 80609645
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-5-fluoroaniline
CID 80609851
2-amino-6-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)phenol
CID 136712774
5-(3-aminonaphthalen-2-yl)-1,2,4-oxadiazol-3-amine
CID 65418134
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-5-methylthiophen-2-amine
CID 65389514
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxyaniline
CID 113305047
4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)pyridin-3-amine
CID 64982482
4-bromo-3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)aniline
CID 113281173
2-bromo-5-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)aniline
CID 107813765
4,5-difluoro-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 65329043
2-bromo-4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)aniline
CID 65391085
3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)naphthalen-2-amine
CID 29041458

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)naphthalen-2-amine?
The IUPAC name of 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)naphthalen-2-amine (CID 60921785) is 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)naphthalen-2-amine.
What is the SMILES notation for 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)naphthalen-2-amine?
The canonical SMILES for 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)naphthalen-2-amine is Nc1cc2ccccc2cc1-c1nc(C2CCCC2)no1.
What is the InChIKey of 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)naphthalen-2-amine?
The InChIKey is MZXURGZBXZGZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c18-15-10-13-8-4-3-7-12(13)9-14(15)17-19-16(20-21-17)11-5-1-2-6-11/h3-4,7-11H,1-2,5-6,18H2.
What are the key properties of 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)naphthalen-2-amine?
3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)naphthalen-2-amine has a molecular weight of 279.34 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)naphthalen-2-amine is sourced from PubChem (CID 60921785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).