3-methyl-5-propan-2-yl-N-[(3-sulfamoylphenyl)methyl]-1,2-oxazole-4-carboxamide

C15H19N3O4S — CID 32564082

IUPAC3-methyl-5-propan-2-yl-N-[(3-sulfamoylphenyl)methyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)NCc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C15H19N3O4S/c1-9(2)14-13(10(3)18-22-14)15(19)17-8-11-5-4-6-12(7-11)23(16,20)21/h4-7,9H,8H2,1-3H3,(H,17,19)(H2,16,20,21)
InChIKeyDSQJZMRXPMZRAN-UHFFFAOYSA-N
MW337.40 g/mol
LogP1.68
Rot. Bonds5

About 3-methyl-5-propan-2-yl-N-[(3-sulfamoylphenyl)methyl]-1,2-oxazole-4-carboxamide

3-methyl-5-propan-2-yl-N-[(3-sulfamoylphenyl)methyl]-1,2-oxazole-4-carboxamide (PubChem CID 32564082) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is 3-methyl-5-propan-2-yl-N-[(3-sulfamoylphenyl)methyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-5-propan-2-yl-N-[(3-sulfamoylphenyl)methyl]-1,2-oxazole-4-carboxamide
PubChem CID32564082
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Name3-methyl-5-propan-2-yl-N-[(3-sulfamoylphenyl)methyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)NCc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C15H19N3O4S/c1-9(2)14-13(10(3)18-22-14)15(19)17-8-11-5-4-6-12(7-11)23(16,20)21/h4-7,9H,8H2,1-3H3,(H,17,19)(H2,16,20,21)
InChIKeyDSQJZMRXPMZRAN-UHFFFAOYSA-N
XLogP1.68
TPSA115.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-propan-2-yl-N-[(3-sulfamoylphenyl)methyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-methyl-5-propan-2-yl-N-[(3-sulfamoylphenyl)methyl]-1,2-oxazole-4-carboxamide (CID 32564082) is 3-methyl-5-propan-2-yl-N-[(3-sulfamoylphenyl)methyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-methyl-5-propan-2-yl-N-[(3-sulfamoylphenyl)methyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-methyl-5-propan-2-yl-N-[(3-sulfamoylphenyl)methyl]-1,2-oxazole-4-carboxamide is Cc1noc(C(C)C)c1C(=O)NCc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-methyl-5-propan-2-yl-N-[(3-sulfamoylphenyl)methyl]-1,2-oxazole-4-carboxamide?
The InChIKey is DSQJZMRXPMZRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-9(2)14-13(10(3)18-22-14)15(19)17-8-11-5-4-6-12(7-11)23(16,20)21/h4-7,9H,8H2,1-3H3,(H,17,19)(H2,16,20,21).
What are the key properties of 3-methyl-5-propan-2-yl-N-[(3-sulfamoylphenyl)methyl]-1,2-oxazole-4-carboxamide?
3-methyl-5-propan-2-yl-N-[(3-sulfamoylphenyl)methyl]-1,2-oxazole-4-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-propan-2-yl-N-[(3-sulfamoylphenyl)methyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 32564082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).