4-acetyl-N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)-N-methylbenzenesulfonamide

C19H15N3O4S — CID 154811070

IUPAC4-acetyl-N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)-N-methylbenzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)c2oc(-c3ccccc3)nc2C#N)cc1
InChIInChI=1S/C19H15N3O4S/c1-13(23)14-8-10-16(11-9-14)27(24,25)22(2)19-17(12-20)21-18(26-19)15-6-4-3-5-7-15/h3-11H,1-2H3
InChIKeyCFNVHZPFRWFBGX-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.24
Rot. Bonds5

About 4-acetyl-N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)-N-methylbenzenesulfonamide

4-acetyl-N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)-N-methylbenzenesulfonamide (PubChem CID 154811070) has the molecular formula C19H15N3O4S and a molecular weight of 381.41 g/mol. Its IUPAC name is 4-acetyl-N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)-N-methylbenzenesulfonamide
PubChem CID154811070
Molecular FormulaC19H15N3O4S
Molecular Weight381.41 g/mol
Exact Mass381.08
IUPAC Name4-acetyl-N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)-N-methylbenzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)c2oc(-c3ccccc3)nc2C#N)cc1
InChIInChI=1S/C19H15N3O4S/c1-13(23)14-8-10-16(11-9-14)27(24,25)22(2)19-17(12-20)21-18(26-19)15-6-4-3-5-7-15/h3-11H,1-2H3
InChIKeyCFNVHZPFRWFBGX-UHFFFAOYSA-N
XLogP3.24
TPSA104.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)-4-fluoro-N-methylbenzenesulfonamide
CID 154811076
4-acetyl-N-(4-cyano-2-naphthalen-1-yl-1,3-oxazol-5-yl)-N-methylbenzenesulfonamide
CID 139582934
2-[(4-cyano-2-phenyl-1,3-oxazol-5-yl)-methylamino]acetic acid
CID 155943118
N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)-4-methylbenzohydrazide
CID 15892647
5-[2-hydroxyethyl(methyl)amino]-2-phenyl-1,3-oxazole-4-carbonitrile
CID 163347594
N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)-4-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 154811074
2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-5-(dimethylamino)-1,3-oxazole-4-carbonitrile
CID 16646594
5-[4-cyano-5-(dimethylamino)-1,3-oxazol-2-yl]-N-methyl-N-phenylfuran-2-sulfonamide
CID 56762398
4-acetylbenzenesulfonyl chloride;4-acetyl-N,N-dimethylbenzenesulfonamide
CID 87987593
4-[5-(4-benzylpiperazin-1-yl)-4-cyano-1,3-oxazol-2-yl]-N,N-dimethylbenzenesulfonamide
CID 16646174
N-(4-acetylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2597397
4-acetyl-N,N-bis(cyanomethyl)benzenesulfonamide
CID 29050568

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-acetyl-N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)-N-methylbenzenesulfonamide (CID 154811070) is 4-acetyl-N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)-N-methylbenzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)N(C)c2oc(-c3ccccc3)nc2C#N)cc1.
What is the InChIKey of 4-acetyl-N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)-N-methylbenzenesulfonamide?
The InChIKey is CFNVHZPFRWFBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4S/c1-13(23)14-8-10-16(11-9-14)27(24,25)22(2)19-17(12-20)21-18(26-19)15-6-4-3-5-7-15/h3-11H,1-2H3.
What are the key properties of 4-acetyl-N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)-N-methylbenzenesulfonamide?
4-acetyl-N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)-N-methylbenzenesulfonamide has a molecular weight of 381.41 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 154811070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).