3-(3,4-difluorophenyl)-N-(5-propyl-1,3,4-oxadiazol-2-yl)propanamide

C14H15F2N3O2 — CID 156585857

IUPAC3-(3,4-difluorophenyl)-N-(5-propyl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCCCc1nnc(NC(=O)CCc2ccc(F)c(F)c2)o1
InChIInChI=1S/C14H15F2N3O2/c1-2-3-13-18-19-14(21-13)17-12(20)7-5-9-4-6-10(15)11(16)8-9/h4,6,8H,2-3,5,7H2,1H3,(H,17,19,20)
InChIKeyFAYDQCQTKXRONT-UHFFFAOYSA-N
MW295.29 g/mol
LogP2.87
Rot. Bonds6

About 3-(3,4-difluorophenyl)-N-(5-propyl-1,3,4-oxadiazol-2-yl)propanamide

3-(3,4-difluorophenyl)-N-(5-propyl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 156585857) has the molecular formula C14H15F2N3O2 and a molecular weight of 295.29 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-N-(5-propyl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-N-(5-propyl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID156585857
Molecular FormulaC14H15F2N3O2
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC Name3-(3,4-difluorophenyl)-N-(5-propyl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCCCc1nnc(NC(=O)CCc2ccc(F)c(F)c2)o1
InChIInChI=1S/C14H15F2N3O2/c1-2-3-13-18-19-14(21-13)17-12(20)7-5-9-4-6-10(15)11(16)8-9/h4,6,8H,2-3,5,7H2,1H3,(H,17,19,20)
InChIKeyFAYDQCQTKXRONT-UHFFFAOYSA-N
XLogP2.87
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-acetamido-2-fluorophenyl)-3-(3,4-difluorophenyl)propanamide
CID 46686963
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CID 115692372
N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]butanamide
CID 43974330
N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pentanamide
CID 43973771
3-(3,4-difluorophenyl)-N-(3,5-dimethoxyphenyl)propanamide
CID 39089275
3-(3,4-difluorophenyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propanamide
CID 47047643
3-(3,4-difluorophenyl)-N-(1-hydroxybutan-2-yl)propanamide
CID 43427720
3-(3,4-difluorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 46686289
3-(3,4-difluorophenyl)-N-(2-hydroxy-2-methylbutyl)propanamide
CID 65114649
(2S)-2-[3-(3,4-difluorophenyl)propanoylamino]hexanoic acid
CID 107144250
1,2-difluoro-4-propylbenzene;methane
CID 160697343
3-(3,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 43500923

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-N-(5-propyl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of 3-(3,4-difluorophenyl)-N-(5-propyl-1,3,4-oxadiazol-2-yl)propanamide (CID 156585857) is 3-(3,4-difluorophenyl)-N-(5-propyl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for 3-(3,4-difluorophenyl)-N-(5-propyl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for 3-(3,4-difluorophenyl)-N-(5-propyl-1,3,4-oxadiazol-2-yl)propanamide is CCCc1nnc(NC(=O)CCc2ccc(F)c(F)c2)o1.
What is the InChIKey of 3-(3,4-difluorophenyl)-N-(5-propyl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is FAYDQCQTKXRONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O2/c1-2-3-13-18-19-14(21-13)17-12(20)7-5-9-4-6-10(15)11(16)8-9/h4,6,8H,2-3,5,7H2,1H3,(H,17,19,20).
What are the key properties of 3-(3,4-difluorophenyl)-N-(5-propyl-1,3,4-oxadiazol-2-yl)propanamide?
3-(3,4-difluorophenyl)-N-(5-propyl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 295.29 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-N-(5-propyl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 156585857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).