2-(4-fluorophenyl)-4-[(E)-(2-methylindol-3-ylidene)methyl]-1,3-oxazol-5-ol

C19H13FN2O2 — CID 135401708

IUPAC2-(4-fluorophenyl)-4-[(E)-(2-methylindol-3-ylidene)methyl]-1,3-oxazol-5-ol
SMILESCC1=Nc2ccccc2/C1=C\c1nc(-c2ccc(F)cc2)oc1O
InChIInChI=1S/C19H13FN2O2/c1-11-15(14-4-2-3-5-16(14)21-11)10-17-19(23)24-18(22-17)12-6-8-13(20)9-7-12/h2-10,23H,1H3/b15-10-
InChIKeyXLGVUVBZJBIFPZ-GDNBJRDFSA-N
MW320.32 g/mol
LogP4.83
Rot. Bonds2

About 2-(4-fluorophenyl)-4-[(E)-(2-methylindol-3-ylidene)methyl]-1,3-oxazol-5-ol

2-(4-fluorophenyl)-4-[(E)-(2-methylindol-3-ylidene)methyl]-1,3-oxazol-5-ol (PubChem CID 135401708) has the molecular formula C19H13FN2O2 and a molecular weight of 320.32 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-[(E)-(2-methylindol-3-ylidene)methyl]-1,3-oxazol-5-ol.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-[(E)-(2-methylindol-3-ylidene)methyl]-1,3-oxazol-5-ol
PubChem CID135401708
Molecular FormulaC19H13FN2O2
Molecular Weight320.32 g/mol
Exact Mass320.10
IUPAC Name2-(4-fluorophenyl)-4-[(E)-(2-methylindol-3-ylidene)methyl]-1,3-oxazol-5-ol
SMILESCC1=Nc2ccccc2/C1=C\c1nc(-c2ccc(F)cc2)oc1O
InChIInChI=1S/C19H13FN2O2/c1-11-15(14-4-2-3-5-16(14)21-11)10-17-19(23)24-18(22-17)12-6-8-13(20)9-7-12/h2-10,23H,1H3/b15-10-
InChIKeyXLGVUVBZJBIFPZ-GDNBJRDFSA-N
XLogP4.83
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-[(E)-(2-methylindol-3-ylidene)methyl]-1,3-oxazol-5-ol?
The IUPAC name of 2-(4-fluorophenyl)-4-[(E)-(2-methylindol-3-ylidene)methyl]-1,3-oxazol-5-ol (CID 135401708) is 2-(4-fluorophenyl)-4-[(E)-(2-methylindol-3-ylidene)methyl]-1,3-oxazol-5-ol.
What is the SMILES notation for 2-(4-fluorophenyl)-4-[(E)-(2-methylindol-3-ylidene)methyl]-1,3-oxazol-5-ol?
The canonical SMILES for 2-(4-fluorophenyl)-4-[(E)-(2-methylindol-3-ylidene)methyl]-1,3-oxazol-5-ol is CC1=Nc2ccccc2/C1=C\c1nc(-c2ccc(F)cc2)oc1O.
What is the InChIKey of 2-(4-fluorophenyl)-4-[(E)-(2-methylindol-3-ylidene)methyl]-1,3-oxazol-5-ol?
The InChIKey is XLGVUVBZJBIFPZ-GDNBJRDFSA-N. The full InChI is InChI=1S/C19H13FN2O2/c1-11-15(14-4-2-3-5-16(14)21-11)10-17-19(23)24-18(22-17)12-6-8-13(20)9-7-12/h2-10,23H,1H3/b15-10-.
What are the key properties of 2-(4-fluorophenyl)-4-[(E)-(2-methylindol-3-ylidene)methyl]-1,3-oxazol-5-ol?
2-(4-fluorophenyl)-4-[(E)-(2-methylindol-3-ylidene)methyl]-1,3-oxazol-5-ol has a molecular weight of 320.32 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-[(E)-(2-methylindol-3-ylidene)methyl]-1,3-oxazol-5-ol is sourced from PubChem (CID 135401708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).