N-(1,3-benzodioxol-5-yl)-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide

C18H13FN2O5 — CID 53180480

IUPACN-(1,3-benzodioxol-5-yl)-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide
SMILESO=C(Cn1cc(-c2ccc(F)cc2)oc1=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C18H13FN2O5/c19-12-3-1-11(2-4-12)16-8-21(18(23)26-16)9-17(22)20-13-5-6-14-15(7-13)25-10-24-14/h1-8H,9-10H2,(H,20,22)
InChIKeyBLTQZLBUDROGSI-UHFFFAOYSA-N
MW356.31 g/mol
LogP2.61
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide

N-(1,3-benzodioxol-5-yl)-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide (PubChem CID 53180480) has the molecular formula C18H13FN2O5 and a molecular weight of 356.31 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide
PubChem CID53180480
Molecular FormulaC18H13FN2O5
Molecular Weight356.31 g/mol
Exact Mass356.08
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide
SMILESO=C(Cn1cc(-c2ccc(F)cc2)oc1=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C18H13FN2O5/c19-12-3-1-11(2-4-12)16-8-21(18(23)26-16)9-17(22)20-13-5-6-14-15(7-13)25-10-24-14/h1-8H,9-10H2,(H,20,22)
InChIKeyBLTQZLBUDROGSI-UHFFFAOYSA-N
XLogP2.61
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-yl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 27648507
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N-(1,3-benzodioxol-5-yl)-2-[4-(4-fluorobenzoyl)piperidin-1-yl]acetamide
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N-(1,3-benzodioxol-5-yl)-2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
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CID 2136501
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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide (CID 53180480) is N-(1,3-benzodioxol-5-yl)-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide is O=C(Cn1cc(-c2ccc(F)cc2)oc1=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide?
The InChIKey is BLTQZLBUDROGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O5/c19-12-3-1-11(2-4-12)16-8-21(18(23)26-16)9-17(22)20-13-5-6-14-15(7-13)25-10-24-14/h1-8H,9-10H2,(H,20,22).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide has a molecular weight of 356.31 g/mol, XLogP of 2.61, 4 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)-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide is sourced from PubChem (CID 53180480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).