N-(3-fluorophenyl)-3-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)propanamide

C12H12FN3O3 — CID 146082874

IUPACN-(3-fluorophenyl)-3-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)propanamide
SMILESCc1noc(=O)n1CCC(=O)Nc1cccc(F)c1
InChIInChI=1S/C12H12FN3O3/c1-8-15-19-12(18)16(8)6-5-11(17)14-10-4-2-3-9(13)7-10/h2-4,7H,5-6H2,1H3,(H,14,17)
InChIKeyFIEZEANMPOLBKV-UHFFFAOYSA-N
MW265.24 g/mol
LogP1.31
Rot. Bonds4

About N-(3-fluorophenyl)-3-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)propanamide

N-(3-fluorophenyl)-3-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)propanamide (PubChem CID 146082874) has the molecular formula C12H12FN3O3 and a molecular weight of 265.24 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)propanamide
PubChem CID146082874
Molecular FormulaC12H12FN3O3
Molecular Weight265.24 g/mol
Exact Mass265.09
IUPAC NameN-(3-fluorophenyl)-3-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)propanamide
SMILESCc1noc(=O)n1CCC(=O)Nc1cccc(F)c1
InChIInChI=1S/C12H12FN3O3/c1-8-15-19-12(18)16(8)6-5-11(17)14-10-4-2-3-9(13)7-10/h2-4,7H,5-6H2,1H3,(H,14,17)
InChIKeyFIEZEANMPOLBKV-UHFFFAOYSA-N
XLogP1.31
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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6-(1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)hexanamide
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3-cyano-N-(3-fluorophenyl)propanamide
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N-(3-fluorophenyl)-3-methyl-1,2-oxazole-5-carboxamide
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N-(3-fluorophenyl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide
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3-[[3-(3-fluoroanilino)-3-oxopropyl]disulfanyl]-N-(3-fluorophenyl)propanamide
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3-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(3-fluorophenyl)propanamide
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N-(3-fluorophenyl)-4-(4-methylphenyl)-4-oxobutanamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)propanamide?
The IUPAC name of N-(3-fluorophenyl)-3-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)propanamide (CID 146082874) is N-(3-fluorophenyl)-3-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)propanamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)propanamide?
The canonical SMILES for N-(3-fluorophenyl)-3-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)propanamide is Cc1noc(=O)n1CCC(=O)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-3-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)propanamide?
The InChIKey is FIEZEANMPOLBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O3/c1-8-15-19-12(18)16(8)6-5-11(17)14-10-4-2-3-9(13)7-10/h2-4,7H,5-6H2,1H3,(H,14,17).
What are the key properties of N-(3-fluorophenyl)-3-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)propanamide?
N-(3-fluorophenyl)-3-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)propanamide has a molecular weight of 265.24 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)propanamide is sourced from PubChem (CID 146082874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).