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

C16H16FN3O4S — CID 36659396

IUPACN-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N(C)Cc1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C16H16FN3O4S/c1-10-16(11(2)24-19-10)25(21,22)20(3)9-15-18-8-14(23-15)12-4-6-13(17)7-5-12/h4-8H,9H2,1-3H3
InChIKeySXDYCMULEBPKDH-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.91
Rot. Bonds5

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

N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 36659396) has the molecular formula C16H16FN3O4S and a molecular weight of 365.39 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
PubChem CID36659396
Molecular FormulaC16H16FN3O4S
Molecular Weight365.39 g/mol
Exact Mass365.08
IUPAC NameN-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N(C)Cc1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C16H16FN3O4S/c1-10-16(11(2)24-19-10)25(21,22)20(3)9-15-18-8-14(23-15)12-4-6-13(17)7-5-12/h4-8H,9H2,1-3H3
InChIKeySXDYCMULEBPKDH-UHFFFAOYSA-N
XLogP2.91
TPSA89.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide with MolForge

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Related Compounds

4''-Oxazol-5-yl-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 10548722
4''-(5-Methyl-oxazol-2-yl)-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 10740258
N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine
CID 38877859
N-((5-(2-fluorophenyl)isoxazol-3-yl)methyl)-5-phenyloxazole-2-carboxamide
CID 45511687
3,5-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]-1,2-oxazole-4-sulfonamide
CID 45833291
4-(2-Cyclopropyl-1,3-oxazol-5-YL)-N-[4-(1,2-oxazol-5-YL)phenyl]benzene-1-sulfonamide
CID 20959115
2-methyl-5-(2-methyl-1,3-oxazol-5-yl)-N-[(3-propylisoxazol-5-yl)methyl]benzenesulfonamide
CID 129625359
(7S)-7-amino-7-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-(1,2-oxazol-3-yl)heptan-1-one
CID 146317333
(R)-N-[(1S)-1-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-6-[2-(1,2-oxazol-3-yl)-1,3-dioxolan-2-yl]hexyl]-2-methylpropane-2-sulfinamide
CID 161793351
N-[(1S)-1-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-6-[2-(1,2-oxazol-3-yl)-1,3-dioxolan-2-yl]hexyl]-2-methylpropane-2-sulfinamide
CID 166721820
Tert-butyl-[[1-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-6-[2-(1,2-oxazol-3-yl)-1,3-dioxolan-2-yl]hexyl]amino]-oxidosulfanium
CID 173967033
2-[(3,5-Dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-5-(4-fluorophenyl)-1,3-oxazole
CID 8168668

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide (CID 36659396) is N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)N(C)Cc1ncc(-c2ccc(F)cc2)o1.
What is the InChIKey of N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is SXDYCMULEBPKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O4S/c1-10-16(11(2)24-19-10)25(21,22)20(3)9-15-18-8-14(23-15)12-4-6-13(17)7-5-12/h4-8H,9H2,1-3H3.
What are the key properties of N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 365.39 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 36659396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).