N-(3-methoxyphenyl)sulfonyl-3-methyl-1,2-oxazole-5-carboxamide

C12H12N2O5S — CID 47480088

IUPACN-(3-methoxyphenyl)sulfonyl-3-methyl-1,2-oxazole-5-carboxamide
SMILESCOc1cccc(S(=O)(=O)NC(=O)c2cc(C)no2)c1
InChIInChI=1S/C12H12N2O5S/c1-8-6-11(19-13-8)12(15)14-20(16,17)10-5-3-4-9(7-10)18-2/h3-7H,1-2H3,(H,14,15)
InChIKeyDXXJDJGZLCLHNP-UHFFFAOYSA-N
MW296.30 g/mol
LogP1.11
Rot. Bonds4

About N-(3-methoxyphenyl)sulfonyl-3-methyl-1,2-oxazole-5-carboxamide

N-(3-methoxyphenyl)sulfonyl-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 47480088) has the molecular formula C12H12N2O5S and a molecular weight of 296.30 g/mol. Its IUPAC name is N-(3-methoxyphenyl)sulfonyl-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)sulfonyl-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID47480088
Molecular FormulaC12H12N2O5S
Molecular Weight296.30 g/mol
Exact Mass296.05
IUPAC NameN-(3-methoxyphenyl)sulfonyl-3-methyl-1,2-oxazole-5-carboxamide
SMILESCOc1cccc(S(=O)(=O)NC(=O)c2cc(C)no2)c1
InChIInChI=1S/C12H12N2O5S/c1-8-6-11(19-13-8)12(15)14-20(16,17)10-5-3-4-9(7-10)18-2/h3-7H,1-2H3,(H,14,15)
InChIKeyDXXJDJGZLCLHNP-UHFFFAOYSA-N
XLogP1.11
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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N-(benzenesulfonyl)-2-(3-methoxyphenyl)acetamide
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3-methyl-N-(3-phenoxyphenyl)-1,2-oxazole-5-carboxamide
CID 51204920
(2R)-2-ethoxy-N-(3-methoxyphenyl)sulfonylpropanamide
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methyl 2-[(3-methoxyphenyl)sulfonylamino]propanoate
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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)sulfonyl-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)sulfonyl-3-methyl-1,2-oxazole-5-carboxamide (CID 47480088) is N-(3-methoxyphenyl)sulfonyl-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)sulfonyl-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)sulfonyl-3-methyl-1,2-oxazole-5-carboxamide is COc1cccc(S(=O)(=O)NC(=O)c2cc(C)no2)c1.
What is the InChIKey of N-(3-methoxyphenyl)sulfonyl-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is DXXJDJGZLCLHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O5S/c1-8-6-11(19-13-8)12(15)14-20(16,17)10-5-3-4-9(7-10)18-2/h3-7H,1-2H3,(H,14,15).
What are the key properties of N-(3-methoxyphenyl)sulfonyl-3-methyl-1,2-oxazole-5-carboxamide?
N-(3-methoxyphenyl)sulfonyl-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 296.30 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)sulfonyl-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 47480088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).