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

C17H11ClN2O4 — CID 1093852

IUPACN-(1,3-benzodioxol-5-yl)-5-(2-chlorophenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cc(-c2ccccc2Cl)on1
InChIInChI=1S/C17H11ClN2O4/c18-12-4-2-1-3-11(12)15-8-13(20-24-15)17(21)19-10-5-6-14-16(7-10)23-9-22-14/h1-8H,9H2,(H,19,21)
InChIKeyVJEXWFNMYPVIRD-UHFFFAOYSA-N
MW342.74 g/mol
LogP3.98
Rot. Bonds3

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

N-(1,3-benzodioxol-5-yl)-5-(2-chlorophenyl)-1,2-oxazole-3-carboxamide (PubChem CID 1093852) has the molecular formula C17H11ClN2O4 and a molecular weight of 342.74 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5-(2-chlorophenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-5-(2-chlorophenyl)-1,2-oxazole-3-carboxamide
PubChem CID1093852
Molecular FormulaC17H11ClN2O4
Molecular Weight342.74 g/mol
Exact Mass342.04
IUPAC NameN-(1,3-benzodioxol-5-yl)-5-(2-chlorophenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cc(-c2ccccc2Cl)on1
InChIInChI=1S/C17H11ClN2O4/c18-12-4-2-1-3-11(12)15-8-13(20-24-15)17(21)19-10-5-6-14-16(7-10)23-9-22-14/h1-8H,9H2,(H,19,21)
InChIKeyVJEXWFNMYPVIRD-UHFFFAOYSA-N
XLogP3.98
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.74
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093725
5-(2-chlorophenyl)-N-(4-methoxyphenyl)-3-isoxazolecarboxamide
CID 1093858
N-1,3-benzodioxol-5-yl-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
CID 5085061
N-(benzo[d][1,3]dioxol-5-yl)-2-(3,5-dimethylisoxazol-4-yl)acetamide
CID 9437284
N-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)isoxazole-3-carboxamide
CID 17252844
N-(1,3-benzodioxol-5-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 690908
N-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)(5-cyclopropylisoxazol-3-yl)carboxamide
CID 5308633
N-(1,3-benzodioxol-5-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 5308918
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 9113969
N-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-3-isoxazolecarboxamide
CID 2217162
N-(1,3-benzodioxol-5-yl)-3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxamide
CID 1022785
5-phenyl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 1093729

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-5-(2-chlorophenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-5-(2-chlorophenyl)-1,2-oxazole-3-carboxamide (CID 1093852) is N-(1,3-benzodioxol-5-yl)-5-(2-chlorophenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5-(2-chlorophenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5-(2-chlorophenyl)-1,2-oxazole-3-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1cc(-c2ccccc2Cl)on1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5-(2-chlorophenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is VJEXWFNMYPVIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O4/c18-12-4-2-1-3-11(12)15-8-13(20-24-15)17(21)19-10-5-6-14-16(7-10)23-9-22-14/h1-8H,9H2,(H,19,21).
What are the key properties of N-(1,3-benzodioxol-5-yl)-5-(2-chlorophenyl)-1,2-oxazole-3-carboxamide?
N-(1,3-benzodioxol-5-yl)-5-(2-chlorophenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 342.74 g/mol, XLogP of 3.98, 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)-5-(2-chlorophenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 1093852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).