N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C16H17N3O4S — CID 110669909

IUPACN-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1-c1ccc(NS(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C16H17N3O4S/c1-9-15(11(3)22-17-9)13-5-7-14(8-6-13)19-24(20,21)16-10(2)18-23-12(16)4/h5-8,19H,1-4H3
InChIKeyKZOKTMAIUQEWRD-UHFFFAOYSA-N
MW347.40 g/mol
LogP3.36
Rot. Bonds4

About N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 110669909) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID110669909
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC NameN-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1-c1ccc(NS(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C16H17N3O4S/c1-9-15(11(3)22-17-9)13-5-7-14(8-6-13)19-24(20,21)16-10(2)18-23-12(16)4/h5-8,19H,1-4H3
InChIKeyKZOKTMAIUQEWRD-UHFFFAOYSA-N
XLogP3.36
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethyl-N-[4-(4-methylanilino)phenyl]-1,2-oxazole-4-sulfonamide
CID 112986072
3,5-dimethyl-N-[4-(propan-2-ylamino)phenyl]-1,2-oxazole-4-sulfonamide
CID 112979926
4-[4-(dimethylsulfamoylamino)phenyl]-3,5-dimethyl-1,2-oxazole
CID 110669886
N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]propane-1-sulfonamide
CID 110669884
N-[4-(1H-imidazol-5-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 84512965
N-[4-(dimethylsulfamoyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 8603709
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 134028009
N-(4-ethylsulfanylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110778642
N-(3,4-difluorophenyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)benzenesulfonamide
CID 53054412
N-(6-chloro-3-pyridinyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 25047869
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,4-dimethylphenyl)-2-methylbenzenesulfonamide
CID 53054290
N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-1-phenylmethanesulfonamide
CID 110669901

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 110669909) is N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1-c1ccc(NS(=O)(=O)c2c(C)noc2C)cc1.
What is the InChIKey of N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is KZOKTMAIUQEWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S/c1-9-15(11(3)22-17-9)13-5-7-14(8-6-13)19-24(20,21)16-10(2)18-23-12(16)4/h5-8,19H,1-4H3.
What are the key properties of N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 347.40 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 110669909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).