N-(1H-indazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C12H12N4O3S — CID 40663972

IUPACN-(1H-indazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C12H12N4O3S/c1-7-12(8(2)19-15-7)20(17,18)16-10-3-4-11-9(5-10)6-13-14-11/h3-6,16H,1-2H3,(H,13,14)
InChIKeyIHMRQSDGYVALEY-UHFFFAOYSA-N
MW292.32 g/mol
LogP1.97
Rot. Bonds3

About N-(1H-indazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-(1H-indazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 40663972) has the molecular formula C12H12N4O3S and a molecular weight of 292.32 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID40663972
Molecular FormulaC12H12N4O3S
Molecular Weight292.32 g/mol
Exact Mass292.06
IUPAC NameN-(1H-indazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C12H12N4O3S/c1-7-12(8(2)19-15-7)20(17,18)16-10-3-4-11-9(5-10)6-13-14-11/h3-6,16H,1-2H3,(H,13,14)
InChIKeyIHMRQSDGYVALEY-UHFFFAOYSA-N
XLogP1.97
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(8-Fluoro-4-methyl-1,4-dihydropyrazolo[4,5-c]quinolin-5-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole
CID 24865988
N-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 119052088
3,5-dimethyl-4-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]sulfonyl-1,2-oxazole
CID 42478936
3,5-dimethyl-4-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]sulfonyl-1,2-oxazole
CID 45237027
N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 59024307
N-(1H-indazol-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 121326631
3,5-dimethyl-N-[7-(4-methyl-1-benzothiophen-2-yl)-1H-indazol-5-yl]-1,2-oxazole-4-sulfonamide
CID 143557279
1-(cyclohexen-1-yl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1H-indazol-5-yl)methanimine
CID 155151982
N-(1H-indazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 6465956
N-(1H-indazol-6-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 17562069
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(1H-indazol-7-yl)piperidine-3-carboxamide
CID 24669324
N-(1H-indazol-7-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 31806404

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-(1H-indazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 40663972) is N-(1H-indazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-(1H-indazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-(1H-indazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)Nc1ccc2[nH]ncc2c1.
What is the InChIKey of N-(1H-indazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is IHMRQSDGYVALEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3S/c1-7-12(8(2)19-15-7)20(17,18)16-10-3-4-11-9(5-10)6-13-14-11/h3-6,16H,1-2H3,(H,13,14).
What are the key properties of N-(1H-indazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-(1H-indazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 292.32 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 40663972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).