5-(3-fluorophenyl)-3-(1-methylindol-2-yl)-1,2-oxazole

C18H13FN2O — CID 71452843

IUPAC5-(3-fluorophenyl)-3-(1-methylindol-2-yl)-1,2-oxazole
SMILESCn1c(-c2cc(-c3cccc(F)c3)on2)cc2ccccc21
InChIInChI=1S/C18H13FN2O/c1-21-16-8-3-2-5-12(16)10-17(21)15-11-18(22-20-15)13-6-4-7-14(19)9-13/h2-11H,1H3
InChIKeyGSRGFPWQKMFXRG-UHFFFAOYSA-N
MW292.31 g/mol
LogP4.64
Rot. Bonds2

About 5-(3-fluorophenyl)-3-(1-methylindol-2-yl)-1,2-oxazole

5-(3-fluorophenyl)-3-(1-methylindol-2-yl)-1,2-oxazole (PubChem CID 71452843) has the molecular formula C18H13FN2O and a molecular weight of 292.31 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-3-(1-methylindol-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-(3-fluorophenyl)-3-(1-methylindol-2-yl)-1,2-oxazole
PubChem CID71452843
Molecular FormulaC18H13FN2O
Molecular Weight292.31 g/mol
Exact Mass292.10
IUPAC Name5-(3-fluorophenyl)-3-(1-methylindol-2-yl)-1,2-oxazole
SMILESCn1c(-c2cc(-c3cccc(F)c3)on2)cc2ccccc21
InChIInChI=1S/C18H13FN2O/c1-21-16-8-3-2-5-12(16)10-17(21)15-11-18(22-20-15)13-6-4-7-14(19)9-13/h2-11H,1H3
InChIKeyGSRGFPWQKMFXRG-UHFFFAOYSA-N
XLogP4.64
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-3-(1-methylindol-2-yl)-1,2-oxazole?
The IUPAC name of 5-(3-fluorophenyl)-3-(1-methylindol-2-yl)-1,2-oxazole (CID 71452843) is 5-(3-fluorophenyl)-3-(1-methylindol-2-yl)-1,2-oxazole.
What is the SMILES notation for 5-(3-fluorophenyl)-3-(1-methylindol-2-yl)-1,2-oxazole?
The canonical SMILES for 5-(3-fluorophenyl)-3-(1-methylindol-2-yl)-1,2-oxazole is Cn1c(-c2cc(-c3cccc(F)c3)on2)cc2ccccc21.
What is the InChIKey of 5-(3-fluorophenyl)-3-(1-methylindol-2-yl)-1,2-oxazole?
The InChIKey is GSRGFPWQKMFXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O/c1-21-16-8-3-2-5-12(16)10-17(21)15-11-18(22-20-15)13-6-4-7-14(19)9-13/h2-11H,1H3.
What are the key properties of 5-(3-fluorophenyl)-3-(1-methylindol-2-yl)-1,2-oxazole?
5-(3-fluorophenyl)-3-(1-methylindol-2-yl)-1,2-oxazole has a molecular weight of 292.31 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-3-(1-methylindol-2-yl)-1,2-oxazole is sourced from PubChem (CID 71452843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).