4-[2-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-3-yl]sulfonylmorpholine

C13H13F3N2O4S2 — CID 50840251

IUPAC4-[2-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-3-yl]sulfonylmorpholine
SMILESCc1sc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C13H13F3N2O4S2/c1-8-11(24(19,20)18-2-4-21-5-3-18)7-10(23-8)9-6-12(22-17-9)13(14,15)16/h6-7H,2-5H2,1H3
InChIKeyGKWQMSIXBGYEPM-UHFFFAOYSA-N
MW382.39 g/mol
LogP2.75
Rot. Bonds3

About 4-[2-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-3-yl]sulfonylmorpholine

4-[2-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-3-yl]sulfonylmorpholine (PubChem CID 50840251) has the molecular formula C13H13F3N2O4S2 and a molecular weight of 382.39 g/mol. Its IUPAC name is 4-[2-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-3-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[2-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-3-yl]sulfonylmorpholine
PubChem CID50840251
Molecular FormulaC13H13F3N2O4S2
Molecular Weight382.39 g/mol
Exact Mass382.03
IUPAC Name4-[2-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-3-yl]sulfonylmorpholine
SMILESCc1sc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C13H13F3N2O4S2/c1-8-11(24(19,20)18-2-4-21-5-3-18)7-10(23-8)9-6-12(22-17-9)13(14,15)16/h6-7H,2-5H2,1H3
InChIKeyGKWQMSIXBGYEPM-UHFFFAOYSA-N
XLogP2.75
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5-methyl-4-piperidin-1-ylsulfonylthiophen-2-yl)-5-(trifluoromethyl)-1,2-oxazole
CID 50840250
3-[5-methyl-4-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole
CID 50840234
1-[4-[4-[2-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-3-yl]sulfonylpiperazin-1-yl]phenyl]ethanone
CID 46396367
3-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylthiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole
CID 7222334
2-methyl-N-(3-methylbutyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide
CID 50840224
3-[4-ethyl-3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-(trifluoromethyl)-1,2-oxazole
CID 46396326
4-(2,4-dichloro-5-methylphenyl)sulfonylmorpholine
CID 775833
5-[5-methyl-4-(4-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 50822109
5-[4-(azepan-1-ylsulfonyl)-5-methylthiophen-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 50822010
2-methyl-4-[5-methyl-4-(4-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]-1,3-thiazole
CID 50843856
4-methyl-3-morpholin-4-ylsulfonyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 2445635
N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 20936014

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-3-yl]sulfonylmorpholine?
The IUPAC name of 4-[2-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-3-yl]sulfonylmorpholine (CID 50840251) is 4-[2-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-3-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[2-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-3-yl]sulfonylmorpholine?
The canonical SMILES for 4-[2-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-3-yl]sulfonylmorpholine is Cc1sc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-[2-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-3-yl]sulfonylmorpholine?
The InChIKey is GKWQMSIXBGYEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O4S2/c1-8-11(24(19,20)18-2-4-21-5-3-18)7-10(23-8)9-6-12(22-17-9)13(14,15)16/h6-7H,2-5H2,1H3.
What are the key properties of 4-[2-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-3-yl]sulfonylmorpholine?
4-[2-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-3-yl]sulfonylmorpholine has a molecular weight of 382.39 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-3-yl]sulfonylmorpholine is sourced from PubChem (CID 50840251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).