3,5-dimethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2-oxazole-4-sulfonamide

C12H18N4O3S — CID 62040309

IUPAC3,5-dimethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCCCc1cn[nH]c1C
InChIInChI=1S/C12H18N4O3S/c1-8-11(7-13-15-8)5-4-6-14-20(17,18)12-9(2)16-19-10(12)3/h7,14H,4-6H2,1-3H3,(H,13,15)
InChIKeyYUGPZMFRJPMYQV-UHFFFAOYSA-N
MW298.37 g/mol
LogP1.23
Rot. Bonds6

About 3,5-dimethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2-oxazole-4-sulfonamide (PubChem CID 62040309) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is 3,5-dimethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2-oxazole-4-sulfonamide
PubChem CID62040309
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC Name3,5-dimethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCCCc1cn[nH]c1C
InChIInChI=1S/C12H18N4O3S/c1-8-11(7-13-15-8)5-4-6-14-20(17,18)12-9(2)16-19-10(12)3/h7,14H,4-6H2,1-3H3,(H,13,15)
InChIKeyYUGPZMFRJPMYQV-UHFFFAOYSA-N
XLogP1.23
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]ethanesulfonamide
CID 62040706
2-(aminomethyl)-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiophene-3-sulfonamide
CID 106055239
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 60761958
3-(5-methyl-1H-pyrazol-4-yl)-N-(methylsulfamoyl)propan-1-amine
CID 114810051
4-[3-(dimethylsulfamoylamino)propyl]-5-methyl-1H-pyrazole
CID 62040310
2-amino-6-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzenesulfonamide
CID 62038556
1,1,1-trifluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]methanesulfonamide
CID 62040916
3,5-dimethyl-N-(3-sulfamoylpropyl)-1,2-oxazole-4-sulfonamide
CID 61131991
N-(6-chlorohexyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 114008819
5-fluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-3-sulfonamide
CID 62040501
2-amino-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzenesulfonamide
CID 62040457
3,5-dimethyl-N-[2-(methylamino)ethyl]-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119972982

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2-oxazole-4-sulfonamide (CID 62040309) is 3,5-dimethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NCCCc1cn[nH]c1C.
What is the InChIKey of 3,5-dimethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is YUGPZMFRJPMYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c1-8-11(7-13-15-8)5-4-6-14-20(17,18)12-9(2)16-19-10(12)3/h7,14H,4-6H2,1-3H3,(H,13,15).
What are the key properties of 3,5-dimethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 298.37 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 62040309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).