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

C19H23FN4O3S — CID 19916034

IUPACN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCCn1cc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2c(C)noc2C)c(C)n1
InChIInChI=1S/C19H23FN4O3S/c1-5-23-11-17(13(2)21-23)12-24(10-16-6-8-18(20)9-7-16)28(25,26)19-14(3)22-27-15(19)4/h6-9,11H,5,10,12H2,1-4H3
InChIKeyYDMKUBZHTNONBU-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.35
Rot. Bonds7

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

N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 19916034) has the molecular formula C19H23FN4O3S and a molecular weight of 406.48 g/mol. Its IUPAC name is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID19916034
Molecular FormulaC19H23FN4O3S
Molecular Weight406.48 g/mol
Exact Mass406.15
IUPAC NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCCn1cc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2c(C)noc2C)c(C)n1
InChIInChI=1S/C19H23FN4O3S/c1-5-23-11-17(13(2)21-23)12-24(10-16-6-8-18(20)9-7-16)28(25,26)19-14(3)22-27-15(19)4/h6-9,11H,5,10,12H2,1-4H3
InChIKeyYDMKUBZHTNONBU-UHFFFAOYSA-N
XLogP3.35
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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]benzenesulfonamide
CID 155528571
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
5-methyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1-phenylpyrazole-4-sulfonamide
CID 2738186
N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 20963883
3-[1-(1-Ethyl-5-methylpyrazol-4-yl)sulfonylazepan-2-yl]-5-(4-fluorophenyl)-1,2-oxazole
CID 46955584
3,5-Dimethyl-4-[[2-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]sulfonyl]-1,2-oxazole
CID 53186373
3,5-Dimethyl-4-{[2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-4H-pyrazolo[1,5-A][1,4]diazepin-5(6H)-YL]sulfonyl}isoxazole
CID 53186376
3,5-dimethyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-1,2-oxazole-4-sulfonamide
CID 56902977
3,5-dimethyl-N-((2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yl)methyl)isoxazole-4-sulfonamide
CID 122245923

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 19916034) is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is CCn1cc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2c(C)noc2C)c(C)n1.
What is the InChIKey of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is YDMKUBZHTNONBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O3S/c1-5-23-11-17(13(2)21-23)12-24(10-16-6-8-18(20)9-7-16)28(25,26)19-14(3)22-27-15(19)4/h6-9,11H,5,10,12H2,1-4H3.
What are the key properties of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 406.48 g/mol, XLogP of 3.35, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 19916034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).