3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(2-hydroxy-6-methylphenyl)propanamide

C17H21N3O3 — CID 86783941

IUPAC3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(2-hydroxy-6-methylphenyl)propanamide
SMILESCc1cccc(O)c1NC(=O)CCc1nnc(C2CCCC2)o1
InChIInChI=1S/C17H21N3O3/c1-11-5-4-8-13(21)16(11)18-14(22)9-10-15-19-20-17(23-15)12-6-2-3-7-12/h4-5,8,12,21H,2-3,6-7,9-10H2,1H3,(H,18,22)
InChIKeyWGXYJLNNQPNSEX-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.31
Rot. Bonds5

About 3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(2-hydroxy-6-methylphenyl)propanamide

3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(2-hydroxy-6-methylphenyl)propanamide (PubChem CID 86783941) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(2-hydroxy-6-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(2-hydroxy-6-methylphenyl)propanamide
PubChem CID86783941
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(2-hydroxy-6-methylphenyl)propanamide
SMILESCc1cccc(O)c1NC(=O)CCc1nnc(C2CCCC2)o1
InChIInChI=1S/C17H21N3O3/c1-11-5-4-8-13(21)16(11)18-14(22)9-10-15-19-20-17(23-15)12-6-2-3-7-12/h4-5,8,12,21H,2-3,6-7,9-10H2,1H3,(H,18,22)
InChIKeyWGXYJLNNQPNSEX-UHFFFAOYSA-N
XLogP3.31
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(2-hydroxy-6-methylphenyl)propanamide?
The IUPAC name of 3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(2-hydroxy-6-methylphenyl)propanamide (CID 86783941) is 3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(2-hydroxy-6-methylphenyl)propanamide.
What is the SMILES notation for 3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(2-hydroxy-6-methylphenyl)propanamide?
The canonical SMILES for 3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(2-hydroxy-6-methylphenyl)propanamide is Cc1cccc(O)c1NC(=O)CCc1nnc(C2CCCC2)o1.
What is the InChIKey of 3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(2-hydroxy-6-methylphenyl)propanamide?
The InChIKey is WGXYJLNNQPNSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-11-5-4-8-13(21)16(11)18-14(22)9-10-15-19-20-17(23-15)12-6-2-3-7-12/h4-5,8,12,21H,2-3,6-7,9-10H2,1H3,(H,18,22).
What are the key properties of 3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(2-hydroxy-6-methylphenyl)propanamide?
3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(2-hydroxy-6-methylphenyl)propanamide has a molecular weight of 315.37 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(2-hydroxy-6-methylphenyl)propanamide is sourced from PubChem (CID 86783941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).