N-(1,3-benzodioxol-5-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide

C16H10FN3O4 — CID 110392752

IUPACN-(1,3-benzodioxol-5-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C16H10FN3O4/c17-10-3-1-9(2-4-10)15-19-20-16(24-15)14(21)18-11-5-6-12-13(7-11)23-8-22-12/h1-7H,8H2,(H,18,21)
InChIKeyYEVYHBWVVFAOIJ-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.86
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide

N-(1,3-benzodioxol-5-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110392752) has the molecular formula C16H10FN3O4 and a molecular weight of 327.27 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID110392752
Molecular FormulaC16H10FN3O4
Molecular Weight327.27 g/mol
Exact Mass327.07
IUPAC NameN-(1,3-benzodioxol-5-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C16H10FN3O4/c17-10-3-1-9(2-4-10)15-19-20-16(24-15)14(21)18-11-5-6-12-13(7-11)23-8-22-12/h1-7H,8H2,(H,18,21)
InChIKeyYEVYHBWVVFAOIJ-UHFFFAOYSA-N
XLogP2.86
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-fluorophenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392712
N-(1,3-benzodioxol-5-yl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 27648507
N-(3-bromo-4-methylphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392716
N-(1,3-benzodioxol-5-yl)-5-(2-chlorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391340
N-(3-bromophenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392748
N-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 66497687
5-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazole-2-carboxamide
CID 110391475
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-1,3-benzodioxole-5-carboxamide
CID 3460045
N-(1,3-benzodioxol-5-yl)-6-(4-fluoroanilino)pyridazine-3-carboxamide
CID 109128499
2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
CID 2595437
1-(1,3-benzodioxol-5-yl)-3-[4-fluoro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 50829919
1-(1,3-benzodioxol-5-yl)-3-(4-fluoroanilino)urea
CID 10589488

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide (CID 110392752) is N-(1,3-benzodioxol-5-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1nnc(-c2ccc(F)cc2)o1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is YEVYHBWVVFAOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN3O4/c17-10-3-1-9(2-4-10)15-19-20-16(24-15)14(21)18-11-5-6-12-13(7-11)23-8-22-12/h1-7H,8H2,(H,18,21).
What are the key properties of N-(1,3-benzodioxol-5-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide?
N-(1,3-benzodioxol-5-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 327.27 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110392752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).