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

C8H11N5O4S — CID 83095862

IUPACN-(3-methoxy-1H-1,2,4-triazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCOc1n[nH]c(NS(=O)(=O)c2c(C)noc2C)n1
InChIInChI=1S/C8H11N5O4S/c1-4-6(5(2)17-12-4)18(14,15)13-7-9-8(16-3)11-10-7/h1-3H3,(H2,9,10,11,13)
InChIKeyBEFKEHMWGHLJFV-UHFFFAOYSA-N
MW273.27 g/mol
LogP0.22
Rot. Bonds4

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

N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 83095862) has the molecular formula C8H11N5O4S and a molecular weight of 273.27 g/mol. Its IUPAC name is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID83095862
Molecular FormulaC8H11N5O4S
Molecular Weight273.27 g/mol
Exact Mass273.05
IUPAC NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCOc1n[nH]c(NS(=O)(=O)c2c(C)noc2C)n1
InChIInChI=1S/C8H11N5O4S/c1-4-6(5(2)17-12-4)18(14,15)13-7-9-8(16-3)11-10-7/h1-3H3,(H2,9,10,11,13)
InChIKeyBEFKEHMWGHLJFV-UHFFFAOYSA-N
XLogP0.22
TPSA123.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 83098109
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,5-dimethylbenzenesulfonamide
CID 83093255
N-(2-hydroxy-6-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 114764739
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea
CID 13469890
3,5-dimethyl-N-(2,3,5,6-tetramethylphenyl)-1,2-oxazole-4-sulfonamide
CID 110776931
N-(6-chloropyrazin-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113456930
N-(2-amino-4-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 28783259
3,5-dimethyl-N-(5-methyl-3-pyridinyl)-1,2-oxazole-4-sulfonamide
CID 110727384
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2,4,6-trimethylbenzenesulfonamide
CID 104818633
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 26982777
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide
CID 83101526
N-(4-chloro-5-hydroxy-2-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 39853829

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 83095862) is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is COc1n[nH]c(NS(=O)(=O)c2c(C)noc2C)n1.
What is the InChIKey of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is BEFKEHMWGHLJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O4S/c1-4-6(5(2)17-12-4)18(14,15)13-7-9-8(16-3)11-10-7/h1-3H3,(H2,9,10,11,13).
What are the key properties of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 273.27 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 83095862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).