3,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)-1,2-oxazole-4-sulfonamide

C18H22N4O3S — CID 19916030

IUPAC3,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N(CCc1ccccc1)Cc1ccn(C)n1
InChIInChI=1S/C18H22N4O3S/c1-14-18(15(2)25-20-14)26(23,24)22(13-17-10-11-21(3)19-17)12-9-16-7-5-4-6-8-16/h4-8,10-11H,9,12-13H2,1-3H3
InChIKeyQXRJIESHMAZMNZ-UHFFFAOYSA-N
MW374.47 g/mol
LogP2.46
Rot. Bonds7

About 3,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)-1,2-oxazole-4-sulfonamide (PubChem CID 19916030) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)-1,2-oxazole-4-sulfonamide
PubChem CID19916030
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name3,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N(CCc1ccccc1)Cc1ccn(C)n1
InChIInChI=1S/C18H22N4O3S/c1-14-18(15(2)25-20-14)26(23,24)22(13-17-10-11-21(3)19-17)12-9-16-7-5-4-6-8-16/h4-8,10-11H,9,12-13H2,1-3H3
InChIKeyQXRJIESHMAZMNZ-UHFFFAOYSA-N
XLogP2.46
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)-1,2-oxazole-4-sulfonamide with MolForge

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Related Compounds

4''-Pyrazol-1-yl-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 22103787
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-phenylacetamide
CID 57422266
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-phenylpropanamide
CID 57944900
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-phenylbutanamide
CID 57944991
(E)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-phenylprop-2-enamide
CID 57422273
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-methylsulfonylbenzamide
CID 57422276
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzenesulfonamide
CID 155528571
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-N-methyl-2-phenylpropanamide
CID 57422294
(2S)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-N-methyl-2-phenylpropanamide
CID 57422315
2-cyano-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzenesulfonamide
CID 57422316
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-methylbenzenesulfonamide
CID 57944955
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-fluorobenzenesulfonamide
CID 57945004

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)-1,2-oxazole-4-sulfonamide (CID 19916030) is 3,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)N(CCc1ccccc1)Cc1ccn(C)n1.
What is the InChIKey of 3,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)-1,2-oxazole-4-sulfonamide?
The InChIKey is QXRJIESHMAZMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-14-18(15(2)25-20-14)26(23,24)22(13-17-10-11-21(3)19-17)12-9-16-7-5-4-6-8-16/h4-8,10-11H,9,12-13H2,1-3H3.
What are the key properties of 3,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)-1,2-oxazole-4-sulfonamide has a molecular weight of 374.47 g/mol, XLogP of 2.46, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 19916030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).