N-(1,3-dihydro-2-benzofuran-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C13H14N2O4S — CID 127714711

IUPACN-(1,3-dihydro-2-benzofuran-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)COC2
InChIInChI=1S/C13H14N2O4S/c1-8-13(9(2)19-14-8)20(16,17)15-12-4-3-10-6-18-7-11(10)5-12/h3-5,15H,6-7H2,1-2H3
InChIKeySFWHRRYPTBQMDV-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.12
Rot. Bonds3

About N-(1,3-dihydro-2-benzofuran-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-(1,3-dihydro-2-benzofuran-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 127714711) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is N-(1,3-dihydro-2-benzofuran-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1,3-dihydro-2-benzofuran-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID127714711
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC NameN-(1,3-dihydro-2-benzofuran-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)COC2
InChIInChI=1S/C13H14N2O4S/c1-8-13(9(2)19-14-8)20(16,17)15-12-4-3-10-6-18-7-11(10)5-12/h3-5,15H,6-7H2,1-2H3
InChIKeySFWHRRYPTBQMDV-UHFFFAOYSA-N
XLogP2.12
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-N-(3-methylphenyl)-1,2-oxazole-4-sulfonamide
CID 6621829
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-(6-methylsulfanyl-3-pyridinyl)-1,2-oxazole-4-sulfonamide
CID 71878682
N-(3-formylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 106913000
3,5-dimethyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,2-oxazole-4-sulfonamide
CID 50796746
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-fluorobenzoic acid
CID 103847489
N-[4-(dimethylsulfamoyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 8603709
N-(6-chloro-3-pyridinyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 25047869
N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110408957
3,5-dimethyl-N-(4-methyl-2-oxochromen-7-yl)-1,2-oxazole-4-sulfonamide
CID 3314791

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydro-2-benzofuran-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-(1,3-dihydro-2-benzofuran-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 127714711) is N-(1,3-dihydro-2-benzofuran-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-(1,3-dihydro-2-benzofuran-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-(1,3-dihydro-2-benzofuran-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)COC2.
What is the InChIKey of N-(1,3-dihydro-2-benzofuran-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is SFWHRRYPTBQMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S/c1-8-13(9(2)19-14-8)20(16,17)15-12-4-3-10-6-18-7-11(10)5-12/h3-5,15H,6-7H2,1-2H3.
What are the key properties of N-(1,3-dihydro-2-benzofuran-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-(1,3-dihydro-2-benzofuran-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 294.33 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydro-2-benzofuran-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 127714711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).