3-methyl-2-oxo-N-(1H-pyrazol-5-yl)-1,3-benzoxazole-6-sulfonamide

C11H10N4O4S — CID 61394264

IUPAC3-methyl-2-oxo-N-(1H-pyrazol-5-yl)-1,3-benzoxazole-6-sulfonamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)Nc3ccn[nH]3)ccc21
InChIInChI=1S/C11H10N4O4S/c1-15-8-3-2-7(6-9(8)19-11(15)16)20(17,18)14-10-4-5-12-13-10/h2-6H,1H3,(H2,12,13,14)
InChIKeyCIRAQOXGRLNKBK-UHFFFAOYSA-N
MW294.29 g/mol
LogP0.66
Rot. Bonds3

About 3-methyl-2-oxo-N-(1H-pyrazol-5-yl)-1,3-benzoxazole-6-sulfonamide

3-methyl-2-oxo-N-(1H-pyrazol-5-yl)-1,3-benzoxazole-6-sulfonamide (PubChem CID 61394264) has the molecular formula C11H10N4O4S and a molecular weight of 294.29 g/mol. Its IUPAC name is 3-methyl-2-oxo-N-(1H-pyrazol-5-yl)-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound Name3-methyl-2-oxo-N-(1H-pyrazol-5-yl)-1,3-benzoxazole-6-sulfonamide
PubChem CID61394264
Molecular FormulaC11H10N4O4S
Molecular Weight294.29 g/mol
Exact Mass294.04
IUPAC Name3-methyl-2-oxo-N-(1H-pyrazol-5-yl)-1,3-benzoxazole-6-sulfonamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)Nc3ccn[nH]3)ccc21
InChIInChI=1S/C11H10N4O4S/c1-15-8-3-2-7(6-9(8)19-11(15)16)20(17,18)14-10-4-5-12-13-10/h2-6H,1H3,(H2,12,13,14)
InChIKeyCIRAQOXGRLNKBK-UHFFFAOYSA-N
XLogP0.66
TPSA109.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxo-N-(1H-pyrazol-5-yl)-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of 3-methyl-2-oxo-N-(1H-pyrazol-5-yl)-1,3-benzoxazole-6-sulfonamide (CID 61394264) is 3-methyl-2-oxo-N-(1H-pyrazol-5-yl)-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for 3-methyl-2-oxo-N-(1H-pyrazol-5-yl)-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for 3-methyl-2-oxo-N-(1H-pyrazol-5-yl)-1,3-benzoxazole-6-sulfonamide is Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccn[nH]3)ccc21.
What is the InChIKey of 3-methyl-2-oxo-N-(1H-pyrazol-5-yl)-1,3-benzoxazole-6-sulfonamide?
The InChIKey is CIRAQOXGRLNKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O4S/c1-15-8-3-2-7(6-9(8)19-11(15)16)20(17,18)14-10-4-5-12-13-10/h2-6H,1H3,(H2,12,13,14).
What are the key properties of 3-methyl-2-oxo-N-(1H-pyrazol-5-yl)-1,3-benzoxazole-6-sulfonamide?
3-methyl-2-oxo-N-(1H-pyrazol-5-yl)-1,3-benzoxazole-6-sulfonamide has a molecular weight of 294.29 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxo-N-(1H-pyrazol-5-yl)-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 61394264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).