4-hydroxy-5-(1H-indol-3-ylmethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-2-one

C20H15F3N2O3 — CID 54460371

IUPAC4-hydroxy-5-(1H-indol-3-ylmethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-2-one
SMILESO=c1oc(Cc2c[nH]c3ccccc23)c(O)n1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H15F3N2O3/c21-20(22,23)14-5-3-4-12(8-14)11-25-18(26)17(28-19(25)27)9-13-10-24-16-7-2-1-6-15(13)16/h1-8,10,24,26H,9,11H2
InChIKeyXBFAQMGEJJVSCU-UHFFFAOYSA-N
MW388.35 g/mol
LogP4.29
Rot. Bonds4

About 4-hydroxy-5-(1H-indol-3-ylmethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-2-one

4-hydroxy-5-(1H-indol-3-ylmethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-2-one (PubChem CID 54460371) has the molecular formula C20H15F3N2O3 and a molecular weight of 388.35 g/mol. Its IUPAC name is 4-hydroxy-5-(1H-indol-3-ylmethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-(1H-indol-3-ylmethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-2-one
PubChem CID54460371
Molecular FormulaC20H15F3N2O3
Molecular Weight388.35 g/mol
Exact Mass388.10
IUPAC Name4-hydroxy-5-(1H-indol-3-ylmethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-2-one
SMILESO=c1oc(Cc2c[nH]c3ccccc23)c(O)n1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H15F3N2O3/c21-20(22,23)14-5-3-4-12(8-14)11-25-18(26)17(28-19(25)27)9-13-10-24-16-7-2-1-6-15(13)16/h1-8,10,24,26H,9,11H2
InChIKeyXBFAQMGEJJVSCU-UHFFFAOYSA-N
XLogP4.29
TPSA71.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 10073370
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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-(1H-indol-3-ylmethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-2-one?
The IUPAC name of 4-hydroxy-5-(1H-indol-3-ylmethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-2-one (CID 54460371) is 4-hydroxy-5-(1H-indol-3-ylmethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-2-one.
What is the SMILES notation for 4-hydroxy-5-(1H-indol-3-ylmethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-2-one?
The canonical SMILES for 4-hydroxy-5-(1H-indol-3-ylmethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-2-one is O=c1oc(Cc2c[nH]c3ccccc23)c(O)n1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-hydroxy-5-(1H-indol-3-ylmethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-2-one?
The InChIKey is XBFAQMGEJJVSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O3/c21-20(22,23)14-5-3-4-12(8-14)11-25-18(26)17(28-19(25)27)9-13-10-24-16-7-2-1-6-15(13)16/h1-8,10,24,26H,9,11H2.
What are the key properties of 4-hydroxy-5-(1H-indol-3-ylmethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-2-one?
4-hydroxy-5-(1H-indol-3-ylmethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-2-one has a molecular weight of 388.35 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(1H-indol-3-ylmethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-2-one is sourced from PubChem (CID 54460371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).