5-methyl-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]-3-phenyl-4H-1,2-oxazole-5-carboxamide

C22H27N3O4S — CID 91954202

IUPAC5-methyl-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]-3-phenyl-4H-1,2-oxazole-5-carboxamide
SMILESCC(C)CNS(=O)(=O)Cc1cccc(NC(=O)C2(C)CC(c3ccccc3)=NO2)c1
InChIInChI=1S/C22H27N3O4S/c1-16(2)14-23-30(27,28)15-17-8-7-11-19(12-17)24-21(26)22(3)13-20(25-29-22)18-9-5-4-6-10-18/h4-12,16,23H,13-15H2,1-3H3,(H,24,26)
InChIKeyFQDDUJJBOXOKQR-UHFFFAOYSA-N
MW429.54 g/mol
LogP3.28
Rot. Bonds8

About 5-methyl-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]-3-phenyl-4H-1,2-oxazole-5-carboxamide

5-methyl-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]-3-phenyl-4H-1,2-oxazole-5-carboxamide (PubChem CID 91954202) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is 5-methyl-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]-3-phenyl-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]-3-phenyl-4H-1,2-oxazole-5-carboxamide
PubChem CID91954202
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC Name5-methyl-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]-3-phenyl-4H-1,2-oxazole-5-carboxamide
SMILESCC(C)CNS(=O)(=O)Cc1cccc(NC(=O)C2(C)CC(c3ccccc3)=NO2)c1
InChIInChI=1S/C22H27N3O4S/c1-16(2)14-23-30(27,28)15-17-8-7-11-19(12-17)24-21(26)22(3)13-20(25-29-22)18-9-5-4-6-10-18/h4-12,16,23H,13-15H2,1-3H3,(H,24,26)
InChIKeyFQDDUJJBOXOKQR-UHFFFAOYSA-N
XLogP3.28
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-5-methyl-3-phenyl-N-(2-phenylethyl)-4H-1,2-oxazole-5-carboxamide
CID 97465490
(5S)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 97465358
(5R)-N,5-dimethyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 95051944
[3-methyl-1-[(5-methyl-3-phenyl-4H-1,2-oxazole-5-carbonyl)amino]butyl]boronic acid
CID 174058339
5-(4-fluorophenyl)-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 91954163
(5S)-5-methyl-N-(6-methyl-2-pyridinyl)-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 97465352
(5R)-5-methyl-N-(6-methyl-2-pyridinyl)-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 97465353
5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 53016965
3-phenyl-N-[3-(sulfamoylmethyl)phenyl]-1,2-oxazole-5-carboxamide
CID 60610490
N-[3-(2-methylpropylsulfamoylmethyl)phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 91954160
(5R)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxylate
CID 7446724
(5R)-N-(4-acetylphenyl)-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 97465709

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]-3-phenyl-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of 5-methyl-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]-3-phenyl-4H-1,2-oxazole-5-carboxamide (CID 91954202) is 5-methyl-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]-3-phenyl-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 5-methyl-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]-3-phenyl-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for 5-methyl-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]-3-phenyl-4H-1,2-oxazole-5-carboxamide is CC(C)CNS(=O)(=O)Cc1cccc(NC(=O)C2(C)CC(c3ccccc3)=NO2)c1.
What is the InChIKey of 5-methyl-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]-3-phenyl-4H-1,2-oxazole-5-carboxamide?
The InChIKey is FQDDUJJBOXOKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S/c1-16(2)14-23-30(27,28)15-17-8-7-11-19(12-17)24-21(26)22(3)13-20(25-29-22)18-9-5-4-6-10-18/h4-12,16,23H,13-15H2,1-3H3,(H,24,26).
What are the key properties of 5-methyl-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]-3-phenyl-4H-1,2-oxazole-5-carboxamide?
5-methyl-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]-3-phenyl-4H-1,2-oxazole-5-carboxamide has a molecular weight of 429.54 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]-3-phenyl-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 91954202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).