3,5-dimethyl-N-(4-methyl-2-oxochromen-7-yl)-1,2-oxazole-4-sulfonamide

C15H14N2O5S — CID 3314791

IUPAC3,5-dimethyl-N-(4-methyl-2-oxochromen-7-yl)-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C15H14N2O5S/c1-8-6-14(18)21-13-7-11(4-5-12(8)13)17-23(19,20)15-9(2)16-22-10(15)3/h4-7,17H,1-3H3
InChIKeyKGABBQPZUNPHJK-UHFFFAOYSA-N
MW334.35 g/mol
LogP2.51
Rot. Bonds3

About 3,5-dimethyl-N-(4-methyl-2-oxochromen-7-yl)-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-(4-methyl-2-oxochromen-7-yl)-1,2-oxazole-4-sulfonamide (PubChem CID 3314791) has the molecular formula C15H14N2O5S and a molecular weight of 334.35 g/mol. Its IUPAC name is 3,5-dimethyl-N-(4-methyl-2-oxochromen-7-yl)-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(4-methyl-2-oxochromen-7-yl)-1,2-oxazole-4-sulfonamide
PubChem CID3314791
Molecular FormulaC15H14N2O5S
Molecular Weight334.35 g/mol
Exact Mass334.06
IUPAC Name3,5-dimethyl-N-(4-methyl-2-oxochromen-7-yl)-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C15H14N2O5S/c1-8-6-14(18)21-13-7-11(4-5-12(8)13)17-23(19,20)15-9(2)16-22-10(15)3/h4-7,17H,1-3H3
InChIKeyKGABBQPZUNPHJK-UHFFFAOYSA-N
XLogP2.51
TPSA102.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,2-oxazole-4-sulfonamide
CID 50796746
4-chloro-N-(4-methyl-2-oxochromen-7-yl)benzenesulfonamide
CID 110734310
7-(dimethylsulfamoylamino)-4-methyl-2-oxochromene
CID 110734309
3,5-dimethyl-N-(3-methylphenyl)-1,2-oxazole-4-sulfonamide
CID 6621829
N-(3-formylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 106913000
N-(1,3-dihydro-2-benzofuran-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 127714711
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
N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110669909
3,5-dimethyl-N-(2,3,5,6-tetramethylphenyl)-1,2-oxazole-4-sulfonamide
CID 110776931
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-fluorobenzoic acid
CID 103847489
N-(3-benzyl-4-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 27301181

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(4-methyl-2-oxochromen-7-yl)-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-(4-methyl-2-oxochromen-7-yl)-1,2-oxazole-4-sulfonamide (CID 3314791) is 3,5-dimethyl-N-(4-methyl-2-oxochromen-7-yl)-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-(4-methyl-2-oxochromen-7-yl)-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-(4-methyl-2-oxochromen-7-yl)-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(C)cc(=O)oc2c1.
What is the InChIKey of 3,5-dimethyl-N-(4-methyl-2-oxochromen-7-yl)-1,2-oxazole-4-sulfonamide?
The InChIKey is KGABBQPZUNPHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5S/c1-8-6-14(18)21-13-7-11(4-5-12(8)13)17-23(19,20)15-9(2)16-22-10(15)3/h4-7,17H,1-3H3.
What are the key properties of 3,5-dimethyl-N-(4-methyl-2-oxochromen-7-yl)-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-(4-methyl-2-oxochromen-7-yl)-1,2-oxazole-4-sulfonamide has a molecular weight of 334.35 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(4-methyl-2-oxochromen-7-yl)-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 3314791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).