N-(3-hydroxy-2-pyridinyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C10H11N3O4S — CID 113392334

IUPACN-(3-hydroxy-2-pyridinyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ncccc1O
InChIInChI=1S/C10H11N3O4S/c1-6-9(7(2)17-12-6)18(15,16)13-10-8(14)4-3-5-11-10/h3-5,14H,1-2H3,(H,11,13)
InChIKeyTXWXJAQDIGIIKP-UHFFFAOYSA-N
MW269.28 g/mol
LogP1.19
Rot. Bonds3

About N-(3-hydroxy-2-pyridinyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-(3-hydroxy-2-pyridinyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 113392334) has the molecular formula C10H11N3O4S and a molecular weight of 269.28 g/mol. Its IUPAC name is N-(3-hydroxy-2-pyridinyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-pyridinyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID113392334
Molecular FormulaC10H11N3O4S
Molecular Weight269.28 g/mol
Exact Mass269.05
IUPAC NameN-(3-hydroxy-2-pyridinyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ncccc1O
InChIInChI=1S/C10H11N3O4S/c1-6-9(7(2)17-12-6)18(15,16)13-10-8(14)4-3-5-11-10/h3-5,14H,1-2H3,(H,11,13)
InChIKeyTXWXJAQDIGIIKP-UHFFFAOYSA-N
XLogP1.19
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxy-6-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 114764739
4-fluoro-N-(3-hydroxy-2-pyridinyl)-2,6-dimethylbenzenesulfonamide
CID 107327732
N-(5-bromoquinolin-8-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 35527339
N-(6-chloro-3-pyridinyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 25047869
3,5-dimethyl-N-(3-methylphenyl)-1,2-oxazole-4-sulfonamide
CID 6621829
N-[2-(hydroxymethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 60640605
N-(3-ethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 47310519
3,5-dimethyl-N-(6-methylsulfanyl-3-pyridinyl)-1,2-oxazole-4-sulfonamide
CID 71878682
3,5-dimethyl-N-(2,3,5,6-tetramethylphenyl)-1,2-oxazole-4-sulfonamide
CID 110776931
3,5-dimethyl-N-[4-(4-methylanilino)phenyl]-1,2-oxazole-4-sulfonamide
CID 112986072
N-(3-iodo-2-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113368492
N-[(2-ethoxy-3-pyridinyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 35389987

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-pyridinyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-(3-hydroxy-2-pyridinyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 113392334) is N-(3-hydroxy-2-pyridinyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-(3-hydroxy-2-pyridinyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-(3-hydroxy-2-pyridinyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)Nc1ncccc1O.
What is the InChIKey of N-(3-hydroxy-2-pyridinyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is TXWXJAQDIGIIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S/c1-6-9(7(2)17-12-6)18(15,16)13-10-8(14)4-3-5-11-10/h3-5,14H,1-2H3,(H,11,13).
What are the key properties of N-(3-hydroxy-2-pyridinyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-(3-hydroxy-2-pyridinyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 269.28 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-pyridinyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 113392334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).