5-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methylamino]-2-fluoro-N,N-dimethylbenzenesulfonamide

C17H20FN5O3S — CID 126804001

IUPAC5-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methylamino]-2-fluoro-N,N-dimethylbenzenesulfonamide
SMILESCc1c(-c2cc(CNc3ccc(F)c(S(=O)(=O)N(C)C)c3)on2)cnn1C
InChIInChI=1S/C17H20FN5O3S/c1-11-14(10-20-23(11)4)16-8-13(26-21-16)9-19-12-5-6-15(18)17(7-12)27(24,25)22(2)3/h5-8,10,19H,9H2,1-4H3
InChIKeyNAMSCHYGPZDWSB-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.39
Rot. Bonds6

About 5-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methylamino]-2-fluoro-N,N-dimethylbenzenesulfonamide

5-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methylamino]-2-fluoro-N,N-dimethylbenzenesulfonamide (PubChem CID 126804001) has the molecular formula C17H20FN5O3S and a molecular weight of 393.44 g/mol. Its IUPAC name is 5-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methylamino]-2-fluoro-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methylamino]-2-fluoro-N,N-dimethylbenzenesulfonamide
PubChem CID126804001
Molecular FormulaC17H20FN5O3S
Molecular Weight393.44 g/mol
Exact Mass393.13
IUPAC Name5-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methylamino]-2-fluoro-N,N-dimethylbenzenesulfonamide
SMILESCc1c(-c2cc(CNc3ccc(F)c(S(=O)(=O)N(C)C)c3)on2)cnn1C
InChIInChI=1S/C17H20FN5O3S/c1-11-14(10-20-23(11)4)16-8-13(26-21-16)9-19-12-5-6-15(18)17(7-12)27(24,25)22(2)3/h5-8,10,19H,9H2,1-4H3
InChIKeyNAMSCHYGPZDWSB-UHFFFAOYSA-N
XLogP2.39
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methylamino]-2-fluoro-N,N-dimethylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
4-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-3,5-dihydro-2H-1lambda6,4-benzothiazepine 1,1-dioxide
CID 126780317
N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-(4-fluorobenzyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 19916034
3-(1-{[3-(1,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazol-5-yl]methyl}pyrrolidin-3-yl)-1-(4-fluorophenyl)urea
CID 126792085
N-[1-(2-fluorobenzyl)-1H-pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 4866612
N-[1-(3-fluorobenzyl)-1H-pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 5258072
3,5-dimethyl-N-[(1R)-1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]-1,2-oxazole-4-sulfonamide
CID 25578412
3,5-dimethyl-N-[(1S)-1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]-1,2-oxazole-4-sulfonamide
CID 25578418
3,5-dimethyl-N-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]-1,2-oxazole-4-sulfonamide
CID 42949989
5-[1-(1-Ethyl-5-methylpyrazol-4-yl)sulfonylazepan-2-yl]-3-(4-fluorophenyl)-1,2-oxazole
CID 46955575

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methylamino]-2-fluoro-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 5-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methylamino]-2-fluoro-N,N-dimethylbenzenesulfonamide (CID 126804001) is 5-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methylamino]-2-fluoro-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methylamino]-2-fluoro-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 5-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methylamino]-2-fluoro-N,N-dimethylbenzenesulfonamide is Cc1c(-c2cc(CNc3ccc(F)c(S(=O)(=O)N(C)C)c3)on2)cnn1C.
What is the InChIKey of 5-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methylamino]-2-fluoro-N,N-dimethylbenzenesulfonamide?
The InChIKey is NAMSCHYGPZDWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O3S/c1-11-14(10-20-23(11)4)16-8-13(26-21-16)9-19-12-5-6-15(18)17(7-12)27(24,25)22(2)3/h5-8,10,19H,9H2,1-4H3.
What are the key properties of 5-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methylamino]-2-fluoro-N,N-dimethylbenzenesulfonamide?
5-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methylamino]-2-fluoro-N,N-dimethylbenzenesulfonamide has a molecular weight of 393.44 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methylamino]-2-fluoro-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 126804001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).