5-(hydroxymethyl)-3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-oxazolidin-2-one

C18H16F3NO4 — CID 3049203

IUPAC5-(hydroxymethyl)-3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OC(CO)CN1c1ccc(OCc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H16F3NO4/c19-18(20,21)13-3-1-2-12(8-13)11-25-15-6-4-14(5-7-15)22-9-16(10-23)26-17(22)24/h1-8,16,23H,9-11H2
InChIKeyHTYHKPOVCWJMEU-UHFFFAOYSA-N
MW367.32 g/mol
LogP3.60
Rot. Bonds5

About 5-(hydroxymethyl)-3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-oxazolidin-2-one

5-(hydroxymethyl)-3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-oxazolidin-2-one (PubChem CID 3049203) has the molecular formula C18H16F3NO4 and a molecular weight of 367.32 g/mol. Its IUPAC name is 5-(hydroxymethyl)-3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-oxazolidin-2-one
PubChem CID3049203
Molecular FormulaC18H16F3NO4
Molecular Weight367.32 g/mol
Exact Mass367.10
IUPAC Name5-(hydroxymethyl)-3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OC(CO)CN1c1ccc(OCc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H16F3NO4/c19-18(20,21)13-3-1-2-12(8-13)11-25-15-6-4-14(5-7-15)22-9-16(10-23)26-17(22)24/h1-8,16,23H,9-11H2
InChIKeyHTYHKPOVCWJMEU-UHFFFAOYSA-N
XLogP3.60
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.32
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Befloxatone
CID 60824
Cimoxatone
CID 52542
(R/R)Befloxatone
CID 18646248
3-Phenyl-5-(p-tolyloxymethyl)oxazolidin-2-one
CID 46887320
3-{4-[3(R)-hydroxybutoxy]phenyl}-(R)-5-methoxymethyloxazolidin-2-one
CID 18646233
(5R)-3-[4-(4-hydroxypentoxy)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 18646251
5-((3-Ethylphenoxy)methyl)-3-phenyloxazolidin-2-one
CID 46887322
5-((4-Ethylphenoxy)methyl)-3-phenyloxazolidin-2-one
CID 46887367
5-((4-Isopropylphenoxy)methyl)-3-phenyloxazolidin-2-one
CID 46887370
5-((3-Tert-butylphenoxy)methyl)-3-phenyloxazolidin-2-one
CID 46887371
5-[(4-Tert-butylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one
CID 46887372
3-Phenyl-5-((4-(trifluoromethyl)phenoxy)methyl)oxazolidin-2-one
CID 46887418

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(hydroxymethyl)-3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-oxazolidin-2-one (CID 3049203) is 5-(hydroxymethyl)-3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(hydroxymethyl)-3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(hydroxymethyl)-3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-oxazolidin-2-one is O=C1OC(CO)CN1c1ccc(OCc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 5-(hydroxymethyl)-3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is HTYHKPOVCWJMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO4/c19-18(20,21)13-3-1-2-12(8-13)11-25-15-6-4-14(5-7-15)22-9-16(10-23)26-17(22)24/h1-8,16,23H,9-11H2.
What are the key properties of 5-(hydroxymethyl)-3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-oxazolidin-2-one?
5-(hydroxymethyl)-3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 367.32 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 3049203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).