N-(1,3-benzodioxol-5-ylmethyl)-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide

C19H14F2N2O5 — CID 24793164

IUPACN-(1,3-benzodioxol-5-ylmethyl)-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1cc(COc2c(F)cccc2F)on1
InChIInChI=1S/C19H14F2N2O5/c20-13-2-1-3-14(21)18(13)25-9-12-7-15(23-28-12)19(24)22-8-11-4-5-16-17(6-11)27-10-26-16/h1-7H,8-10H2,(H,22,24)
InChIKeyYDEZOBQZMGRAFB-UHFFFAOYSA-N
MW388.33 g/mol
LogP3.19
Rot. Bonds6

About N-(1,3-benzodioxol-5-ylmethyl)-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 24793164) has the molecular formula C19H14F2N2O5 and a molecular weight of 388.33 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide
PubChem CID24793164
Molecular FormulaC19H14F2N2O5
Molecular Weight388.33 g/mol
Exact Mass388.09
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1cc(COc2c(F)cccc2F)on1
InChIInChI=1S/C19H14F2N2O5/c20-13-2-1-3-14(21)18(13)25-9-12-7-15(23-28-12)19(24)22-8-11-4-5-16-17(6-11)27-10-26-16/h1-7H,8-10H2,(H,22,24)
InChIKeyYDEZOBQZMGRAFB-UHFFFAOYSA-N
XLogP3.19
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide
CID 25274856
5-[(2,6-difluorophenoxy)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 24819346
N-(1,3-benzodioxol-5-ylmethyl)-2-fluorobenzamide
CID 674890
5-[(2,6-difluorophenoxy)methyl]-N-(1H-indol-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 29183509
N-(1,3-benzodioxol-5-ylmethyl)-5-[[benzoyl(cyclopropyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23767437
N-(1,3-benzodioxol-5-ylmethyl)-5-[[bis[(4-methoxyphenyl)methyl]amino]methyl]-1,2-oxazole-3-carboxamide
CID 23904698
N-[2-(3-chlorophenyl)ethyl]-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 42567502
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluoro-1H-indol-3-yl)acetamide
CID 110851708
N-(1,3-benzodioxol-5-ylmethyl)-5-[[benzoyl(pentan-3-yl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23796256
N-(1,3-benzodioxol-5-ylmethyl)-5-[[benzoyl-[(3,4-dichlorophenyl)methyl]amino]methyl]-1,2-oxazole-3-carboxamide
CID 23965402
N-(1,3-benzodioxol-5-ylmethyl)-5-[[(4-methoxyphenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]-1,2-oxazole-3-carboxamide
CID 23968520
N-(1,3-benzodioxol-5-ylmethyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093805

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide (CID 24793164) is N-(1,3-benzodioxol-5-ylmethyl)-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide is O=C(NCc1ccc2c(c1)OCO2)c1cc(COc2c(F)cccc2F)on1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is YDEZOBQZMGRAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N2O5/c20-13-2-1-3-14(21)18(13)25-9-12-7-15(23-28-12)19(24)22-8-11-4-5-16-17(6-11)27-10-26-16/h1-7H,8-10H2,(H,22,24).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 388.33 g/mol, XLogP of 3.19, 6 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-ylmethyl)-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24793164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).