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

C19H14F2N2O4 — CID 27555557

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]acetamide
SMILESO=C(Cc1cc(-c2ccc(F)cc2F)on1)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C19H14F2N2O4/c20-12-2-3-14(15(21)6-12)17-7-13(23-27-17)8-19(24)22-9-11-1-4-16-18(5-11)26-10-25-16/h1-7H,8-10H2,(H,22,24)
InChIKeyPJPVLHBHXNZEDA-UHFFFAOYSA-N
MW372.33 g/mol
LogP3.21
Rot. Bonds5

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

N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]acetamide (PubChem CID 27555557) has the molecular formula C19H14F2N2O4 and a molecular weight of 372.33 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]acetamide
PubChem CID27555557
Molecular FormulaC19H14F2N2O4
Molecular Weight372.33 g/mol
Exact Mass372.09
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]acetamide
SMILESO=C(Cc1cc(-c2ccc(F)cc2F)on1)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C19H14F2N2O4/c20-12-2-3-14(15(21)6-12)17-7-13(23-27-17)8-19(24)22-9-11-1-4-16-18(5-11)26-10-25-16/h1-7H,8-10H2,(H,22,24)
InChIKeyPJPVLHBHXNZEDA-UHFFFAOYSA-N
XLogP3.21
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 30850612
2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 30850480
N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110410345
N-(1,3-benzodioxol-5-ylmethyl)-2,4-difluorobenzamide
CID 4280921
2-(1,2-benzoxazol-3-yl)-N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 45497823
N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-difluoroanilino)acetamide
CID 108998869
N-[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxobutyl]-2,4-difluorobenzamide
CID 51192543
N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-fluorophenyl)propanediamide
CID 108947217
N-(1,3-benzodioxol-5-ylmethyl)-2-(5-fluoro-1H-indol-3-yl)acetamide
CID 112513932
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997703
5-(1,3-benzodioxol-5-yl)-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide
CID 15993268
N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-4-oxochromene-2-carboxamide
CID 27567867

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]acetamide (CID 27555557) is N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]acetamide is O=C(Cc1cc(-c2ccc(F)cc2F)on1)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]acetamide?
The InChIKey is PJPVLHBHXNZEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N2O4/c20-12-2-3-14(15(21)6-12)17-7-13(23-27-17)8-19(24)22-9-11-1-4-16-18(5-11)26-10-25-16/h1-7H,8-10H2,(H,22,24).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]acetamide has a molecular weight of 372.33 g/mol, XLogP of 3.21, 5 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-ylmethyl)-2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]acetamide is sourced from PubChem (CID 27555557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).