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

C17H11FN2O4 — CID 17096069

IUPACN-(1,3-benzodioxol-5-yl)-3-(2-fluorophenyl)-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cc(-c2ccccc2F)no1
InChIInChI=1S/C17H11FN2O4/c18-12-4-2-1-3-11(12)13-8-16(24-20-13)17(21)19-10-5-6-14-15(7-10)23-9-22-14/h1-8H,9H2,(H,19,21)
InChIKeyAQKOTZKVIBXTNZ-UHFFFAOYSA-N
MW326.28 g/mol
LogP3.46
Rot. Bonds3

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

N-(1,3-benzodioxol-5-yl)-3-(2-fluorophenyl)-1,2-oxazole-5-carboxamide (PubChem CID 17096069) has the molecular formula C17H11FN2O4 and a molecular weight of 326.28 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-(2-fluorophenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-(2-fluorophenyl)-1,2-oxazole-5-carboxamide
PubChem CID17096069
Molecular FormulaC17H11FN2O4
Molecular Weight326.28 g/mol
Exact Mass326.07
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-(2-fluorophenyl)-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cc(-c2ccccc2F)no1
InChIInChI=1S/C17H11FN2O4/c18-12-4-2-1-3-11(12)13-8-16(24-20-13)17(21)19-10-5-6-14-15(7-10)23-9-22-14/h1-8H,9H2,(H,19,21)
InChIKeyAQKOTZKVIBXTNZ-UHFFFAOYSA-N
XLogP3.46
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-(2-fluorophenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-(2-fluorophenyl)-1,2-oxazole-5-carboxamide (CID 17096069) is N-(1,3-benzodioxol-5-yl)-3-(2-fluorophenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-(2-fluorophenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-(2-fluorophenyl)-1,2-oxazole-5-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1cc(-c2ccccc2F)no1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-(2-fluorophenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is AQKOTZKVIBXTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN2O4/c18-12-4-2-1-3-11(12)13-8-16(24-20-13)17(21)19-10-5-6-14-15(7-10)23-9-22-14/h1-8H,9H2,(H,19,21).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-(2-fluorophenyl)-1,2-oxazole-5-carboxamide?
N-(1,3-benzodioxol-5-yl)-3-(2-fluorophenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 326.28 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3-(2-fluorophenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 17096069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).