3-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]aniline

C14H17N3O — CID 65345651

IUPAC3-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]aniline
SMILESNc1cccc(Cc2nc(C3CCCC3)no2)c1
InChIInChI=1S/C14H17N3O/c15-12-7-3-4-10(8-12)9-13-16-14(17-18-13)11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9,15H2
InChIKeyZXRAFYPGFFFGAF-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.90
Rot. Bonds3

About 3-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]aniline

3-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]aniline (PubChem CID 65345651) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name3-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]aniline
PubChem CID65345651
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]aniline
SMILESNc1cccc(Cc2nc(C3CCCC3)no2)c1
InChIInChI=1S/C14H17N3O/c15-12-7-3-4-10(8-12)9-13-16-14(17-18-13)11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9,15H2
InChIKeyZXRAFYPGFFFGAF-UHFFFAOYSA-N
XLogP2.90
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.90
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

3-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methoxy]aniline
CID 65389709
3-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methoxy]aniline
CID 30029423
3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 65334211
4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]phenol
CID 55258328
3-[[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 79665325
[2-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine
CID 81317921
3-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 65329458
2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 62536508
3-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 65345653
4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenol
CID 63851274
(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methanamine
CID 65390292
3-(5-benzyl-1,2,4-oxadiazol-3-yl)aniline
CID 43525256

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]aniline?
The IUPAC name of 3-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]aniline (CID 65345651) is 3-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]aniline.
What is the SMILES notation for 3-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]aniline?
The canonical SMILES for 3-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]aniline is Nc1cccc(Cc2nc(C3CCCC3)no2)c1.
What is the InChIKey of 3-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]aniline?
The InChIKey is ZXRAFYPGFFFGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-12-7-3-4-10(8-12)9-13-16-14(17-18-13)11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9,15H2.
What are the key properties of 3-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]aniline?
3-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]aniline has a molecular weight of 243.31 g/mol, XLogP of 2.90, 3 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)methyl]aniline is sourced from PubChem (CID 65345651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).