2-(4-fluorophenyl)-4-[(Z)-indol-3-ylidenemethyl]-1,3-oxazol-5-ol

C18H11FN2O2 — CID 135683156

IUPAC2-(4-fluorophenyl)-4-[(Z)-indol-3-ylidenemethyl]-1,3-oxazol-5-ol
SMILESOc1oc(-c2ccc(F)cc2)nc1/C=C1\C=Nc2ccccc21
InChIInChI=1S/C18H11FN2O2/c19-13-7-5-11(6-8-13)17-21-16(18(22)23-17)9-12-10-20-15-4-2-1-3-14(12)15/h1-10,22H/b12-9+
InChIKeyMENSVEMYKCQLJJ-FMIVXFBMSA-N
MW306.30 g/mol
LogP4.44
Rot. Bonds2

About 2-(4-fluorophenyl)-4-[(Z)-indol-3-ylidenemethyl]-1,3-oxazol-5-ol

2-(4-fluorophenyl)-4-[(Z)-indol-3-ylidenemethyl]-1,3-oxazol-5-ol (PubChem CID 135683156) has the molecular formula C18H11FN2O2 and a molecular weight of 306.30 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-[(Z)-indol-3-ylidenemethyl]-1,3-oxazol-5-ol.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-[(Z)-indol-3-ylidenemethyl]-1,3-oxazol-5-ol
PubChem CID135683156
Molecular FormulaC18H11FN2O2
Molecular Weight306.30 g/mol
Exact Mass306.08
IUPAC Name2-(4-fluorophenyl)-4-[(Z)-indol-3-ylidenemethyl]-1,3-oxazol-5-ol
SMILESOc1oc(-c2ccc(F)cc2)nc1/C=C1\C=Nc2ccccc21
InChIInChI=1S/C18H11FN2O2/c19-13-7-5-11(6-8-13)17-21-16(18(22)23-17)9-12-10-20-15-4-2-1-3-14(12)15/h1-10,22H/b12-9+
InChIKeyMENSVEMYKCQLJJ-FMIVXFBMSA-N
XLogP4.44
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 54.44
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-[(Z)-indol-3-ylidenemethyl]-1,3-oxazol-5-ol?
The IUPAC name of 2-(4-fluorophenyl)-4-[(Z)-indol-3-ylidenemethyl]-1,3-oxazol-5-ol (CID 135683156) is 2-(4-fluorophenyl)-4-[(Z)-indol-3-ylidenemethyl]-1,3-oxazol-5-ol.
What is the SMILES notation for 2-(4-fluorophenyl)-4-[(Z)-indol-3-ylidenemethyl]-1,3-oxazol-5-ol?
The canonical SMILES for 2-(4-fluorophenyl)-4-[(Z)-indol-3-ylidenemethyl]-1,3-oxazol-5-ol is Oc1oc(-c2ccc(F)cc2)nc1/C=C1\C=Nc2ccccc21.
What is the InChIKey of 2-(4-fluorophenyl)-4-[(Z)-indol-3-ylidenemethyl]-1,3-oxazol-5-ol?
The InChIKey is MENSVEMYKCQLJJ-FMIVXFBMSA-N. The full InChI is InChI=1S/C18H11FN2O2/c19-13-7-5-11(6-8-13)17-21-16(18(22)23-17)9-12-10-20-15-4-2-1-3-14(12)15/h1-10,22H/b12-9+.
What are the key properties of 2-(4-fluorophenyl)-4-[(Z)-indol-3-ylidenemethyl]-1,3-oxazol-5-ol?
2-(4-fluorophenyl)-4-[(Z)-indol-3-ylidenemethyl]-1,3-oxazol-5-ol has a molecular weight of 306.30 g/mol, XLogP of 4.44, 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-[(Z)-indol-3-ylidenemethyl]-1,3-oxazol-5-ol is sourced from PubChem (CID 135683156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).