3,5-dimethyl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]-1,2-oxazole-4-sulfonamide

C18H21F3N2O4S — CID 71886504

IUPAC3,5-dimethyl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1
InChIInChI=1S/C18H21F3N2O4S/c1-12-16(13(2)27-23-12)28(24,25)22-11-17(6-8-26-9-7-17)14-4-3-5-15(10-14)18(19,20)21/h3-5,10,22H,6-9,11H2,1-2H3
InChIKeyBRPZKOUTTJZDSM-UHFFFAOYSA-N
MW418.44 g/mol
LogP3.34
Rot. Bonds5

About 3,5-dimethyl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]-1,2-oxazole-4-sulfonamide (PubChem CID 71886504) has the molecular formula C18H21F3N2O4S and a molecular weight of 418.44 g/mol. Its IUPAC name is 3,5-dimethyl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]-1,2-oxazole-4-sulfonamide
PubChem CID71886504
Molecular FormulaC18H21F3N2O4S
Molecular Weight418.44 g/mol
Exact Mass418.12
IUPAC Name3,5-dimethyl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1
InChIInChI=1S/C18H21F3N2O4S/c1-12-16(13(2)27-23-12)28(24,25)22-11-17(6-8-26-9-7-17)14-4-3-5-15(10-14)18(19,20)21/h3-5,10,22H,6-9,11H2,1-2H3
InChIKeyBRPZKOUTTJZDSM-UHFFFAOYSA-N
XLogP3.34
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-sulfonamide
CID 3863030
2-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methylamino]pyridine-3-sulfonamide
CID 139000508
1-[1-[(sulfamoylamino)methyl]cyclopropyl]-3-(trifluoromethyl)benzene
CID 154834670
2,4-dimethyl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]-1,3-thiazole-5-carboxamide
CID 56798727
1-pyridin-4-yl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]methanamine
CID 75405292
2-ethyl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]-1,3-thiazole-5-carboxamide
CID 48579909
1-[(1S)-1-cyclopropylethyl]-3-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]urea
CID 94656629
3,5-dimethyl-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]-1,2-oxazole-4-sulfonamide
CID 95376531
ethyl 3-[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]propanoate
CID 66685195
5-methyl-N-[[4-(3-methylphenyl)oxan-4-yl]methyl]thiophene-2-sulfonamide
CID 46968329
2-methyl-1-propyl-3-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]guanidine
CID 111225219
N-(2,2-diphenylpropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 26545265

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]-1,2-oxazole-4-sulfonamide (CID 71886504) is 3,5-dimethyl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1.
What is the InChIKey of 3,5-dimethyl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is BRPZKOUTTJZDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O4S/c1-12-16(13(2)27-23-12)28(24,25)22-11-17(6-8-26-9-7-17)14-4-3-5-15(10-14)18(19,20)21/h3-5,10,22H,6-9,11H2,1-2H3.
What are the key properties of 3,5-dimethyl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 418.44 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 71886504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).