2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-fluoro-1-(4-hydroxyphenyl)indole-3-carbonitrile

C20H14FN3O2 — CID 58378197

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-fluoro-1-(4-hydroxyphenyl)indole-3-carbonitrile
SMILESCc1noc(C)c1-c1c(C#N)c2cccc(F)c2n1-c1ccc(O)cc1
InChIInChI=1S/C20H14FN3O2/c1-11-18(12(2)26-23-11)20-16(10-22)15-4-3-5-17(21)19(15)24(20)13-6-8-14(25)9-7-13/h3-9,25H,1-2H3
InChIKeyPLFRMNVBNPINPT-UHFFFAOYSA-N
MW347.35 g/mol
LogP4.62
Rot. Bonds2

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-fluoro-1-(4-hydroxyphenyl)indole-3-carbonitrile

2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-fluoro-1-(4-hydroxyphenyl)indole-3-carbonitrile (PubChem CID 58378197) has the molecular formula C20H14FN3O2 and a molecular weight of 347.35 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-fluoro-1-(4-hydroxyphenyl)indole-3-carbonitrile.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-fluoro-1-(4-hydroxyphenyl)indole-3-carbonitrile
PubChem CID58378197
Molecular FormulaC20H14FN3O2
Molecular Weight347.35 g/mol
Exact Mass347.11
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-fluoro-1-(4-hydroxyphenyl)indole-3-carbonitrile
SMILESCc1noc(C)c1-c1c(C#N)c2cccc(F)c2n1-c1ccc(O)cc1
InChIInChI=1S/C20H14FN3O2/c1-11-18(12(2)26-23-11)20-16(10-22)15-4-3-5-17(21)19(15)24(20)13-6-8-14(25)9-7-13/h3-9,25H,1-2H3
InChIKeyPLFRMNVBNPINPT-UHFFFAOYSA-N
XLogP4.62
TPSA74.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-fluoro-1-(4-hydroxyphenyl)indole-3-carbonitrile?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-fluoro-1-(4-hydroxyphenyl)indole-3-carbonitrile (CID 58378197) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-fluoro-1-(4-hydroxyphenyl)indole-3-carbonitrile.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-fluoro-1-(4-hydroxyphenyl)indole-3-carbonitrile?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-fluoro-1-(4-hydroxyphenyl)indole-3-carbonitrile is Cc1noc(C)c1-c1c(C#N)c2cccc(F)c2n1-c1ccc(O)cc1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-fluoro-1-(4-hydroxyphenyl)indole-3-carbonitrile?
The InChIKey is PLFRMNVBNPINPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O2/c1-11-18(12(2)26-23-11)20-16(10-22)15-4-3-5-17(21)19(15)24(20)13-6-8-14(25)9-7-13/h3-9,25H,1-2H3.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-fluoro-1-(4-hydroxyphenyl)indole-3-carbonitrile?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-fluoro-1-(4-hydroxyphenyl)indole-3-carbonitrile has a molecular weight of 347.35 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-fluoro-1-(4-hydroxyphenyl)indole-3-carbonitrile is sourced from PubChem (CID 58378197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).