3,5-dimethyl-N-[(4-oxo-3H-phthalazin-1-yl)methyl]-1,2-oxazole-4-sulfonamide

C14H14N4O4S — CID 110734385

IUPAC3,5-dimethyl-N-[(4-oxo-3H-phthalazin-1-yl)methyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C14H14N4O4S/c1-8-13(9(2)22-18-8)23(20,21)15-7-12-10-5-3-4-6-11(10)14(19)17-16-12/h3-6,15H,7H2,1-2H3,(H,17,19)
InChIKeyLITLOHDQGYWDAO-UHFFFAOYSA-N
MW334.36 g/mol
LogP1.01
Rot. Bonds4

About 3,5-dimethyl-N-[(4-oxo-3H-phthalazin-1-yl)methyl]-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-[(4-oxo-3H-phthalazin-1-yl)methyl]-1,2-oxazole-4-sulfonamide (PubChem CID 110734385) has the molecular formula C14H14N4O4S and a molecular weight of 334.36 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(4-oxo-3H-phthalazin-1-yl)methyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(4-oxo-3H-phthalazin-1-yl)methyl]-1,2-oxazole-4-sulfonamide
PubChem CID110734385
Molecular FormulaC14H14N4O4S
Molecular Weight334.36 g/mol
Exact Mass334.07
IUPAC Name3,5-dimethyl-N-[(4-oxo-3H-phthalazin-1-yl)methyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C14H14N4O4S/c1-8-13(9(2)22-18-8)23(20,21)15-7-12-10-5-3-4-6-11(10)14(19)17-16-12/h3-6,15H,7H2,1-2H3,(H,17,19)
InChIKeyLITLOHDQGYWDAO-UHFFFAOYSA-N
XLogP1.01
TPSA117.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3,5-dimethyl-N-[(4-oxo-3H-phthalazin-1-yl)methyl]-1,2-oxazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 146121769
3,5-dimethyl-N-[2-(2-oxo-1-pyridinyl)ethyl]-1,2-oxazole-4-sulfonamide
CID 75512081
N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 3238779
4-[(2-methylanilino)methyl]-2H-phthalazin-1-one
CID 20850439
3,5-dimethyl-N-(1H-pyrazol-4-ylmethyl)-1,2-oxazole-4-sulfonamide
CID 54897462
3,5-dimethyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-1,2-oxazole-4-sulfonamide
CID 110730460
3,5-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1,2-oxazole-4-sulfonamide
CID 51089443
3,5-dimethyl-N-[(6-phenylpyrimidin-4-yl)methyl]-1,2-oxazole-4-sulfonamide
CID 122262152
N-(2,2-diphenylpropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 26545265
3,5-dimethyl-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]-1,2-oxazole-4-sulfonamide
CID 110404443
3,5-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2-oxazole-4-sulfonamide
CID 24556296
N-(1,3-benzothiazol-7-ylmethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 164692792

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(4-oxo-3H-phthalazin-1-yl)methyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[(4-oxo-3H-phthalazin-1-yl)methyl]-1,2-oxazole-4-sulfonamide (CID 110734385) is 3,5-dimethyl-N-[(4-oxo-3H-phthalazin-1-yl)methyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[(4-oxo-3H-phthalazin-1-yl)methyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[(4-oxo-3H-phthalazin-1-yl)methyl]-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NCc1n[nH]c(=O)c2ccccc12.
What is the InChIKey of 3,5-dimethyl-N-[(4-oxo-3H-phthalazin-1-yl)methyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is LITLOHDQGYWDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O4S/c1-8-13(9(2)22-18-8)23(20,21)15-7-12-10-5-3-4-6-11(10)14(19)17-16-12/h3-6,15H,7H2,1-2H3,(H,17,19).
What are the key properties of 3,5-dimethyl-N-[(4-oxo-3H-phthalazin-1-yl)methyl]-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-[(4-oxo-3H-phthalazin-1-yl)methyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 334.36 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(4-oxo-3H-phthalazin-1-yl)methyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 110734385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).