3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-propan-2-yloxypropyl)propanamide

C17H22FN3O3 — CID 22431119

IUPAC3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-propan-2-yloxypropyl)propanamide
SMILESCC(C)OCCCNC(=O)CCc1nc(-c2ccccc2F)no1
InChIInChI=1S/C17H22FN3O3/c1-12(2)23-11-5-10-19-15(22)8-9-16-20-17(21-24-16)13-6-3-4-7-14(13)18/h3-4,6-7,12H,5,8-11H2,1-2H3,(H,19,22)
InChIKeyPWCZVPMIZDCKJR-UHFFFAOYSA-N
MW335.38 g/mol
LogP2.74
Rot. Bonds9

About 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-propan-2-yloxypropyl)propanamide

3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-propan-2-yloxypropyl)propanamide (PubChem CID 22431119) has the molecular formula C17H22FN3O3 and a molecular weight of 335.38 g/mol. Its IUPAC name is 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-propan-2-yloxypropyl)propanamide.

Molecular Properties

Compound Name3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-propan-2-yloxypropyl)propanamide
PubChem CID22431119
Molecular FormulaC17H22FN3O3
Molecular Weight335.38 g/mol
Exact Mass335.16
IUPAC Name3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-propan-2-yloxypropyl)propanamide
SMILESCC(C)OCCCNC(=O)CCc1nc(-c2ccccc2F)no1
InChIInChI=1S/C17H22FN3O3/c1-12(2)23-11-5-10-19-15(22)8-9-16-20-17(21-24-16)13-6-3-4-7-14(13)18/h3-4,6-7,12H,5,8-11H2,1-2H3,(H,19,22)
InChIKeyPWCZVPMIZDCKJR-UHFFFAOYSA-N
XLogP2.74
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-propan-2-yloxypropyl)propanamide?
The IUPAC name of 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-propan-2-yloxypropyl)propanamide (CID 22431119) is 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-propan-2-yloxypropyl)propanamide.
What is the SMILES notation for 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-propan-2-yloxypropyl)propanamide?
The canonical SMILES for 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-propan-2-yloxypropyl)propanamide is CC(C)OCCCNC(=O)CCc1nc(-c2ccccc2F)no1.
What is the InChIKey of 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-propan-2-yloxypropyl)propanamide?
The InChIKey is PWCZVPMIZDCKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O3/c1-12(2)23-11-5-10-19-15(22)8-9-16-20-17(21-24-16)13-6-3-4-7-14(13)18/h3-4,6-7,12H,5,8-11H2,1-2H3,(H,19,22).
What are the key properties of 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-propan-2-yloxypropyl)propanamide?
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-propan-2-yloxypropyl)propanamide has a molecular weight of 335.38 g/mol, XLogP of 2.74, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-propan-2-yloxypropyl)propanamide is sourced from PubChem (CID 22431119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).