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

C21H22FN3O4S — CID 39094592

IUPAC3-(4-fluorophenyl)-5-methyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccc(F)cc2)c1C(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1
InChIInChI=1S/C21H22FN3O4S/c1-13(2)25(4)30(27,28)18-11-9-17(10-12-18)23-21(26)19-14(3)29-24-20(19)15-5-7-16(22)8-6-15/h5-13H,1-4H3,(H,23,26)
InChIKeyXWIQHHODQDDLDG-UHFFFAOYSA-N
MW431.49 g/mol
LogP4.07
Rot. Bonds6

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

3-(4-fluorophenyl)-5-methyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 39094592) has the molecular formula C21H22FN3O4S and a molecular weight of 431.49 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-methyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-methyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-1,2-oxazole-4-carboxamide
PubChem CID39094592
Molecular FormulaC21H22FN3O4S
Molecular Weight431.49 g/mol
Exact Mass431.13
IUPAC Name3-(4-fluorophenyl)-5-methyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccc(F)cc2)c1C(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1
InChIInChI=1S/C21H22FN3O4S/c1-13(2)25(4)30(27,28)18-11-9-17(10-12-18)23-21(26)19-14(3)29-24-20(19)15-5-7-16(22)8-6-15/h5-13H,1-4H3,(H,23,26)
InChIKeyXWIQHHODQDDLDG-UHFFFAOYSA-N
XLogP4.07
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-5-fluoro-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide
CID 26369634
3-(4-fluorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 35998393
N-(4-acetylphenyl)-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805851
5-fluoro-2-methoxy-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide
CID 31120180
3-ethyl-N-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 9040097
N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 86942016
3-(4-fluorophenyl)-5-[(4-nitrobenzoyl)amino]-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide
CID 134154346
3,4-dichloro-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide
CID 8759609
3-(4-bromophenyl)-N-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805521
N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 41363687
N-[6-[2-(aminomethyl)pyrimidin-5-yl]-2-propan-2-yloxy-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 166108669
N-(3,4-dimethylphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 51297168

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-methyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-5-methyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-1,2-oxazole-4-carboxamide (CID 39094592) is 3-(4-fluorophenyl)-5-methyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-5-methyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-5-methyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-5-methyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is XWIQHHODQDDLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O4S/c1-13(2)25(4)30(27,28)18-11-9-17(10-12-18)23-21(26)19-14(3)29-24-20(19)15-5-7-16(22)8-6-15/h5-13H,1-4H3,(H,23,26).
What are the key properties of 3-(4-fluorophenyl)-5-methyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-1,2-oxazole-4-carboxamide?
3-(4-fluorophenyl)-5-methyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 431.49 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-methyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 39094592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).