3-[4-(1H-indol-6-yl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol

C18H13F3N2O2 — CID 155413452

IUPAC3-[4-(1H-indol-6-yl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESOC1(C(F)(F)F)CC(c2ccc(-c3ccc4cc[nH]c4c3)cc2)=NO1
InChIInChI=1S/C18H13F3N2O2/c19-18(20,21)17(24)10-16(23-25-17)12-3-1-11(2-4-12)14-6-5-13-7-8-22-15(13)9-14/h1-9,22,24H,10H2
InChIKeyXCJPXXBFNMDRRJ-UHFFFAOYSA-N
MW346.31 g/mol
LogP4.21
Rot. Bonds2

About 3-[4-(1H-indol-6-yl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol

3-[4-(1H-indol-6-yl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (PubChem CID 155413452) has the molecular formula C18H13F3N2O2 and a molecular weight of 346.31 g/mol. Its IUPAC name is 3-[4-(1H-indol-6-yl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name3-[4-(1H-indol-6-yl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
PubChem CID155413452
Molecular FormulaC18H13F3N2O2
Molecular Weight346.31 g/mol
Exact Mass346.09
IUPAC Name3-[4-(1H-indol-6-yl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESOC1(C(F)(F)F)CC(c2ccc(-c3ccc4cc[nH]c4c3)cc2)=NO1
InChIInChI=1S/C18H13F3N2O2/c19-18(20,21)17(24)10-16(23-25-17)12-3-1-11(2-4-12)14-6-5-13-7-8-22-15(13)9-14/h1-9,22,24H,10H2
InChIKeyXCJPXXBFNMDRRJ-UHFFFAOYSA-N
XLogP4.21
TPSA57.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1H-indol-6-yl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The IUPAC name of 3-[4-(1H-indol-6-yl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (CID 155413452) is 3-[4-(1H-indol-6-yl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.
What is the SMILES notation for 3-[4-(1H-indol-6-yl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The canonical SMILES for 3-[4-(1H-indol-6-yl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is OC1(C(F)(F)F)CC(c2ccc(-c3ccc4cc[nH]c4c3)cc2)=NO1.
What is the InChIKey of 3-[4-(1H-indol-6-yl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The InChIKey is XCJPXXBFNMDRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O2/c19-18(20,21)17(24)10-16(23-25-17)12-3-1-11(2-4-12)14-6-5-13-7-8-22-15(13)9-14/h1-9,22,24H,10H2.
What are the key properties of 3-[4-(1H-indol-6-yl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
3-[4-(1H-indol-6-yl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol has a molecular weight of 346.31 g/mol, XLogP of 4.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1H-indol-6-yl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 155413452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).