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

C15H18FN3O3 — CID 110333794

IUPAC3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)CCc1nnc(-c2ccccc2F)o1
InChIInChI=1S/C15H18FN3O3/c1-21-10-4-9-17-13(20)7-8-14-18-19-15(22-14)11-5-2-3-6-12(11)16/h2-3,5-6H,4,7-10H2,1H3,(H,17,20)
InChIKeyZPPSFWBUMWCDKR-UHFFFAOYSA-N
MW307.32 g/mol
LogP1.96
Rot. Bonds8

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

3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methoxypropyl)propanamide (PubChem CID 110333794) has the molecular formula C15H18FN3O3 and a molecular weight of 307.32 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methoxypropyl)propanamide
PubChem CID110333794
Molecular FormulaC15H18FN3O3
Molecular Weight307.32 g/mol
Exact Mass307.13
IUPAC Name3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)CCc1nnc(-c2ccccc2F)o1
InChIInChI=1S/C15H18FN3O3/c1-21-10-4-9-17-13(20)7-8-14-18-19-15(22-14)11-5-2-3-6-12(11)16/h2-3,5-6H,4,7-10H2,1H3,(H,17,20)
InChIKeyZPPSFWBUMWCDKR-UHFFFAOYSA-N
XLogP1.96
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 51.96
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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Related Compounds

3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methoxypropyl)propanamide
CID 110334461
N-benzyl-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110333805
N-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-thiophen-2-ylacetamide
CID 110320957
N-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-methoxybenzamide
CID 110320949
3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-octylpropanamide
CID 18859405
2-fluoro-N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321716
N-(2-methoxyethyl)-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334282
N-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-methylbenzamide
CID 110320940
5-(2-methoxyphenyl)-N-(3-methoxypropyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391659
5-(2-fluorophenyl)-N-(3-phenylpropyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392294
2,3,4-trifluoro-N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321754
1-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-phenylurea
CID 110320970

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methoxypropyl)propanamide?
The IUPAC name of 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methoxypropyl)propanamide (CID 110333794) is 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methoxypropyl)propanamide is COCCCNC(=O)CCc1nnc(-c2ccccc2F)o1.
What is the InChIKey of 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methoxypropyl)propanamide?
The InChIKey is ZPPSFWBUMWCDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O3/c1-21-10-4-9-17-13(20)7-8-14-18-19-15(22-14)11-5-2-3-6-12(11)16/h2-3,5-6H,4,7-10H2,1H3,(H,17,20).
What are the key properties of 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methoxypropyl)propanamide?
3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methoxypropyl)propanamide has a molecular weight of 307.32 g/mol, XLogP of 1.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 110333794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).