5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[(4-fluorophenyl)methyl]-2-methylbenzenesulfonamide

C19H19FN2O3S — CID 20935524

IUPAC5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[(4-fluorophenyl)methyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H19FN2O3S/c1-12-4-7-16(19-13(2)14(3)22-25-19)10-18(12)26(23,24)21-11-15-5-8-17(20)9-6-15/h4-10,21H,11H2,1-3H3
InChIKeyWNHJBZCEBJBVAE-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.88
Rot. Bonds5

About 5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[(4-fluorophenyl)methyl]-2-methylbenzenesulfonamide

5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[(4-fluorophenyl)methyl]-2-methylbenzenesulfonamide (PubChem CID 20935524) has the molecular formula C19H19FN2O3S and a molecular weight of 374.44 g/mol. Its IUPAC name is 5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[(4-fluorophenyl)methyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[(4-fluorophenyl)methyl]-2-methylbenzenesulfonamide
PubChem CID20935524
Molecular FormulaC19H19FN2O3S
Molecular Weight374.44 g/mol
Exact Mass374.11
IUPAC Name5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[(4-fluorophenyl)methyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H19FN2O3S/c1-12-4-7-16(19-13(2)14(3)22-25-19)10-18(12)26(23,24)21-11-15-5-8-17(20)9-6-15/h4-10,21H,11H2,1-3H3
InChIKeyWNHJBZCEBJBVAE-UHFFFAOYSA-N
XLogP3.88
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 20935537
5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonyl chloride
CID 53212007
2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 20934938
N-(3-chloro-4-methylphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide
CID 20935502
5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxy-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 20936573
5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(3-methoxyphenyl)-2-methylbenzenesulfonamide
CID 20935455
N-(2-bromo-4-methylphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide
CID 20935509
5-(3,4-dimethyl-1,2-oxazol-5-yl)-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 20935543
N-[(4-methoxyphenyl)methyl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20934937
5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 20935556
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3-ethyl-4-methyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide
CID 50902426
N-[2-(diethylamino)ethyl]-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxybenzenesulfonamide
CID 20936548

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[(4-fluorophenyl)methyl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[(4-fluorophenyl)methyl]-2-methylbenzenesulfonamide (CID 20935524) is 5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[(4-fluorophenyl)methyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[(4-fluorophenyl)methyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[(4-fluorophenyl)methyl]-2-methylbenzenesulfonamide is Cc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)NCc1ccc(F)cc1.
What is the InChIKey of 5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[(4-fluorophenyl)methyl]-2-methylbenzenesulfonamide?
The InChIKey is WNHJBZCEBJBVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3S/c1-12-4-7-16(19-13(2)14(3)22-25-19)10-18(12)26(23,24)21-11-15-5-8-17(20)9-6-15/h4-10,21H,11H2,1-3H3.
What are the key properties of 5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[(4-fluorophenyl)methyl]-2-methylbenzenesulfonamide?
5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[(4-fluorophenyl)methyl]-2-methylbenzenesulfonamide has a molecular weight of 374.44 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[(4-fluorophenyl)methyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 20935524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).