3-(2-chloro-6-fluorophenyl)-5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-4-carboxamide

C19H17ClFN3O4S — CID 1245722

IUPAC3-(2-chloro-6-fluorophenyl)-5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H17ClFN3O4S/c1-11-16(18(24-28-11)17-14(20)3-2-4-15(17)21)19(25)23-10-9-12-5-7-13(8-6-12)29(22,26)27/h2-8H,9-10H2,1H3,(H,23,25)(H2,22,26,27)
InChIKeyBVUGBEKKCMCNEF-UHFFFAOYSA-N
MW437.88 g/mol
LogP3.06
Rot. Bonds6

About 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-4-carboxamide

3-(2-chloro-6-fluorophenyl)-5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-4-carboxamide (PubChem CID 1245722) has the molecular formula C19H17ClFN3O4S and a molecular weight of 437.88 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-4-carboxamide
PubChem CID1245722
Molecular FormulaC19H17ClFN3O4S
Molecular Weight437.88 g/mol
Exact Mass437.06
IUPAC Name3-(2-chloro-6-fluorophenyl)-5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H17ClFN3O4S/c1-11-16(18(24-28-11)17-14(20)3-2-4-15(17)21)19(25)23-10-9-12-5-7-13(8-6-12)29(22,26)27/h2-8H,9-10H2,1H3,(H,23,25)(H2,22,26,27)
InChIKeyBVUGBEKKCMCNEF-UHFFFAOYSA-N
XLogP3.06
TPSA115.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.88
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-chlorophenyl)-N-cycloheptyl-5-methyl-1,2-oxazole-4-carboxamide
CID 707574
N-[4-(butylsulfamoyl)phenyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 2186453
N-benzyl-3-(2,6-dichlorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 1368511
3-(2-chloro-6-fluorophenyl)-N-cyclopropyl-5-methyl-1,2-oxazole-4-carboxamide
CID 2374581
3-chloro-N-[(5-methyl-3-phenyl-4-isoxazolyl)methyl]benzenesulfonamide
CID 2738173
3-(2-chloro-6-fluorophenyl)-N-cyclohexyl-N,5-dimethyl-4-isoxazolecarboxamide
CID 2813901
3-ethyl-5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-4-carboxamide
CID 24687486
3-(2-chlorophenyl)-5-methyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide
CID 2788459
N-[(2-chlorophenyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 20855570
N-benzyl-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 2055744
3-(2,6-dichlorophenyl)-N-[4-(diethylamino)cyclohexyl]-5-methylisoxazole-4-carboxamide
CID 11618705
N-benzyl-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 769448

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-4-carboxamide (CID 1245722) is 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-4-carboxamide is Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-4-carboxamide?
The InChIKey is BVUGBEKKCMCNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O4S/c1-11-16(18(24-28-11)17-14(20)3-2-4-15(17)21)19(25)23-10-9-12-5-7-13(8-6-12)29(22,26)27/h2-8H,9-10H2,1H3,(H,23,25)(H2,22,26,27).
What are the key properties of 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-4-carboxamide?
3-(2-chloro-6-fluorophenyl)-5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-4-carboxamide has a molecular weight of 437.88 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1245722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).