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

C14H16N4O3S — CID 154750375

IUPACN-[2-cyano-5-(dimethylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1cc(N(C)C)ccc1C#N
InChIInChI=1S/C14H16N4O3S/c1-9-14(10(2)21-16-9)22(19,20)17-13-7-12(18(3)4)6-5-11(13)8-15/h5-7,17H,1-4H3
InChIKeyTWANMNVQJDGVMH-UHFFFAOYSA-N
MW320.37 g/mol
LogP2.03
Rot. Bonds4

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

N-[2-cyano-5-(dimethylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 154750375) has the molecular formula C14H16N4O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is N-[2-cyano-5-(dimethylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-cyano-5-(dimethylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID154750375
Molecular FormulaC14H16N4O3S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC NameN-[2-cyano-5-(dimethylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1cc(N(C)C)ccc1C#N
InChIInChI=1S/C14H16N4O3S/c1-9-14(10(2)21-16-9)22(19,20)17-13-7-12(18(3)4)6-5-11(13)8-15/h5-7,17H,1-4H3
InChIKeyTWANMNVQJDGVMH-UHFFFAOYSA-N
XLogP2.03
TPSA99.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(dimethylamino)-2-nitrophenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 11638672
N-(2-chloro-4-cyanophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 103791873
N-[2-cyano-5-(dimethylamino)phenyl]-1-methylimidazole-4-sulfonamide
CID 71917183
N-(2-cyano-6-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 107468239
N-[6-(2-cyanoanilino)-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113022734
N-(2-amino-4-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 43259158
N-[4-(dimethylsulfamoyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 8603709
N-(2-chloro-4-fluorophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 8002095
N-(2-bromo-5-fluorophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 103752882
N-(2-fluoro-4-iodophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 5000852
3-amino-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzoic acid
CID 63117138
3,5-dimethyl-N-(2,3,5,6-tetramethylphenyl)-1,2-oxazole-4-sulfonamide
CID 110776931

Frequently Asked Questions

What is the IUPAC name of N-[2-cyano-5-(dimethylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[2-cyano-5-(dimethylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 154750375) is N-[2-cyano-5-(dimethylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[2-cyano-5-(dimethylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[2-cyano-5-(dimethylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)Nc1cc(N(C)C)ccc1C#N.
What is the InChIKey of N-[2-cyano-5-(dimethylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is TWANMNVQJDGVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S/c1-9-14(10(2)21-16-9)22(19,20)17-13-7-12(18(3)4)6-5-11(13)8-15/h5-7,17H,1-4H3.
What are the key properties of N-[2-cyano-5-(dimethylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[2-cyano-5-(dimethylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 320.37 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyano-5-(dimethylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 154750375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).