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

C17H11ClN2O4 — CID 15988828

IUPAC5-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cc(-c2ccc3c(c2)OCO3)on1
InChIInChI=1S/C17H11ClN2O4/c18-11-2-1-3-12(7-11)19-17(21)13-8-15(24-20-13)10-4-5-14-16(6-10)23-9-22-14/h1-8H,9H2,(H,19,21)
InChIKeyRNRYJSMYZALSSL-UHFFFAOYSA-N
MW342.74 g/mol
LogP3.98
Rot. Bonds3

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

5-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)-1,2-oxazole-3-carboxamide (PubChem CID 15988828) has the molecular formula C17H11ClN2O4 and a molecular weight of 342.74 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)-1,2-oxazole-3-carboxamide
PubChem CID15988828
Molecular FormulaC17H11ClN2O4
Molecular Weight342.74 g/mol
Exact Mass342.04
IUPAC Name5-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cc(-c2ccc3c(c2)OCO3)on1
InChIInChI=1S/C17H11ClN2O4/c18-11-2-1-3-12(7-11)19-17(21)13-8-15(24-20-13)10-4-5-14-16(6-10)23-9-22-14/h1-8H,9H2,(H,19,21)
InChIKeyRNRYJSMYZALSSL-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

1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 90504673
5-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)-1-methylpyrazole-3-carboxamide
CID 110336883
N-(3-chlorophenyl)-5-(4-fluoro-3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 75204524
N-(1,3-benzodioxol-5-yl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3604841
N-(3-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 15997665
5-(1,3-benzodioxol-5-yl)-N-(2-ethylphenyl)-1,2-oxazole-3-carboxamide
CID 15988831
5-(3-chlorophenyl)-N-(3-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 37341737
5-N-(1,3-benzodioxol-5-yl)-3-N-(3-chlorophenyl)pyridine-3,5-dicarboxamide
CID 109108795
4-N-(1,3-benzodioxol-5-yl)-2-N-(3-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109092846
5-(1,3-benzodioxol-5-yl)-N-(2H-tetrazol-5-yl)-1,2-oxazole-3-carboxamide
CID 139676224
N-[3-(3-chlorophenyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 141145423
5-(3-chlorophenyl)-N-[3-(methylcarbamoyl)phenyl]-1,2-oxazole-3-carboxamide
CID 37340877

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)-1,2-oxazole-3-carboxamide (CID 15988828) is 5-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)-1,2-oxazole-3-carboxamide is O=C(Nc1cccc(Cl)c1)c1cc(-c2ccc3c(c2)OCO3)on1.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is RNRYJSMYZALSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O4/c18-11-2-1-3-12(7-11)19-17(21)13-8-15(24-20-13)10-4-5-14-16(6-10)23-9-22-14/h1-8H,9H2,(H,19,21).
What are the key properties of 5-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)-1,2-oxazole-3-carboxamide?
5-(1,3-benzodioxol-5-yl)-N-(3-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 5-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 15988828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).