3-(4-fluorophenyl)-5-(1-methylindol-2-yl)-1,2-oxazole

C18H13FN2O — CID 71460049

IUPAC3-(4-fluorophenyl)-5-(1-methylindol-2-yl)-1,2-oxazole
SMILESCn1c(-c2cc(-c3ccc(F)cc3)no2)cc2ccccc21
InChIInChI=1S/C18H13FN2O/c1-21-16-5-3-2-4-13(16)10-17(21)18-11-15(20-22-18)12-6-8-14(19)9-7-12/h2-11H,1H3
InChIKeyHFQCTCKEBWBCCH-UHFFFAOYSA-N
MW292.31 g/mol
LogP4.64
Rot. Bonds2

About 3-(4-fluorophenyl)-5-(1-methylindol-2-yl)-1,2-oxazole

3-(4-fluorophenyl)-5-(1-methylindol-2-yl)-1,2-oxazole (PubChem CID 71460049) has the molecular formula C18H13FN2O and a molecular weight of 292.31 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-(1-methylindol-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-(1-methylindol-2-yl)-1,2-oxazole
PubChem CID71460049
Molecular FormulaC18H13FN2O
Molecular Weight292.31 g/mol
Exact Mass292.10
IUPAC Name3-(4-fluorophenyl)-5-(1-methylindol-2-yl)-1,2-oxazole
SMILESCn1c(-c2cc(-c3ccc(F)cc3)no2)cc2ccccc21
InChIInChI=1S/C18H13FN2O/c1-21-16-5-3-2-4-13(16)10-17(21)18-11-15(20-22-18)12-6-8-14(19)9-7-12/h2-11H,1H3
InChIKeyHFQCTCKEBWBCCH-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 3-(4-fluorophenyl)-5-(1-methylindol-2-yl)-1,2-oxazole?
The IUPAC name of 3-(4-fluorophenyl)-5-(1-methylindol-2-yl)-1,2-oxazole (CID 71460049) is 3-(4-fluorophenyl)-5-(1-methylindol-2-yl)-1,2-oxazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-(1-methylindol-2-yl)-1,2-oxazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-(1-methylindol-2-yl)-1,2-oxazole is Cn1c(-c2cc(-c3ccc(F)cc3)no2)cc2ccccc21.
What is the InChIKey of 3-(4-fluorophenyl)-5-(1-methylindol-2-yl)-1,2-oxazole?
The InChIKey is HFQCTCKEBWBCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O/c1-21-16-5-3-2-4-13(16)10-17(21)18-11-15(20-22-18)12-6-8-14(19)9-7-12/h2-11H,1H3.
What are the key properties of 3-(4-fluorophenyl)-5-(1-methylindol-2-yl)-1,2-oxazole?
3-(4-fluorophenyl)-5-(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 3-(4-fluorophenyl)-5-(1-methylindol-2-yl)-1,2-oxazole is sourced from PubChem (CID 71460049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).