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

C17H19FN4O3S — CID 35527686

IUPACN-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1nn(Cc2cccc(F)c2)c(C)c1NS(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C17H19FN4O3S/c1-10-16(21-26(23,24)17-11(2)20-25-13(17)4)12(3)22(19-10)9-14-6-5-7-15(18)8-14/h5-8,21H,9H2,1-4H3
InChIKeyIFIVZHIGCXQEKO-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.09
Rot. Bonds5

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

N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 35527686) has the molecular formula C17H19FN4O3S and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID35527686
Molecular FormulaC17H19FN4O3S
Molecular Weight378.43 g/mol
Exact Mass378.12
IUPAC NameN-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1nn(Cc2cccc(F)c2)c(C)c1NS(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C17H19FN4O3S/c1-10-16(21-26(23,24)17-11(2)20-25-13(17)4)12(3)22(19-10)9-14-6-5-7-15(18)8-14/h5-8,21H,9H2,1-4H3
InChIKeyIFIVZHIGCXQEKO-UHFFFAOYSA-N
XLogP3.09
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
US9156811, Ddd73510
CID 58561065
4-((4-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)piperazin-1-yl)sulfonyl)-3,5-dimethylisoxazole
CID 52417409
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-((2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yl)methyl)isoxazole-4-sulfonamide
CID 122245923
3,5-dimethyl-N-{[1-methyl-3-(pyridin-4-yl)-1H-pyrazol-5-yl]methyl}-1,2-oxazole-4-sulfonamide
CID 137966671
N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-(4-fluorobenzyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 19916034
N-[[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]methyl]-N-(cyclopropylmethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 44219592

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 35527686) is N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1nn(Cc2cccc(F)c2)c(C)c1NS(=O)(=O)c1c(C)noc1C.
What is the InChIKey of N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is IFIVZHIGCXQEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O3S/c1-10-16(21-26(23,24)17-11(2)20-25-13(17)4)12(3)22(19-10)9-14-6-5-7-15(18)8-14/h5-8,21H,9H2,1-4H3.
What are the key properties of N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 378.43 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 35527686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).