3-(furan-2-yl)-4-(1H-indol-5-yl)-5-phenyl-1,2-oxazole

C21H14N2O2 — CID 24761326

IUPAC3-(furan-2-yl)-4-(1H-indol-5-yl)-5-phenyl-1,2-oxazole
SMILESc1ccc(-c2onc(-c3ccco3)c2-c2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C21H14N2O2/c1-2-5-14(6-3-1)21-19(20(23-25-21)18-7-4-12-24-18)16-8-9-17-15(13-16)10-11-22-17/h1-13,22H
InChIKeyWEAFZWKWDHLXNM-UHFFFAOYSA-N
MW326.36 g/mol
LogP5.75
Rot. Bonds3

About 3-(furan-2-yl)-4-(1H-indol-5-yl)-5-phenyl-1,2-oxazole

3-(furan-2-yl)-4-(1H-indol-5-yl)-5-phenyl-1,2-oxazole (PubChem CID 24761326) has the molecular formula C21H14N2O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 3-(furan-2-yl)-4-(1H-indol-5-yl)-5-phenyl-1,2-oxazole.

Molecular Properties

Compound Name3-(furan-2-yl)-4-(1H-indol-5-yl)-5-phenyl-1,2-oxazole
PubChem CID24761326
Molecular FormulaC21H14N2O2
Molecular Weight326.36 g/mol
Exact Mass326.11
IUPAC Name3-(furan-2-yl)-4-(1H-indol-5-yl)-5-phenyl-1,2-oxazole
SMILESc1ccc(-c2onc(-c3ccco3)c2-c2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C21H14N2O2/c1-2-5-14(6-3-1)21-19(20(23-25-21)18-7-4-12-24-18)16-8-9-17-15(13-16)10-11-22-17/h1-13,22H
InChIKeyWEAFZWKWDHLXNM-UHFFFAOYSA-N
XLogP5.75
TPSA54.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.36
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-4-(1H-indol-5-yl)-5-phenyl-1,2-oxazole?
The IUPAC name of 3-(furan-2-yl)-4-(1H-indol-5-yl)-5-phenyl-1,2-oxazole (CID 24761326) is 3-(furan-2-yl)-4-(1H-indol-5-yl)-5-phenyl-1,2-oxazole.
What is the SMILES notation for 3-(furan-2-yl)-4-(1H-indol-5-yl)-5-phenyl-1,2-oxazole?
The canonical SMILES for 3-(furan-2-yl)-4-(1H-indol-5-yl)-5-phenyl-1,2-oxazole is c1ccc(-c2onc(-c3ccco3)c2-c2ccc3[nH]ccc3c2)cc1.
What is the InChIKey of 3-(furan-2-yl)-4-(1H-indol-5-yl)-5-phenyl-1,2-oxazole?
The InChIKey is WEAFZWKWDHLXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O2/c1-2-5-14(6-3-1)21-19(20(23-25-21)18-7-4-12-24-18)16-8-9-17-15(13-16)10-11-22-17/h1-13,22H.
What are the key properties of 3-(furan-2-yl)-4-(1H-indol-5-yl)-5-phenyl-1,2-oxazole?
3-(furan-2-yl)-4-(1H-indol-5-yl)-5-phenyl-1,2-oxazole has a molecular weight of 326.36 g/mol, XLogP of 5.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-4-(1H-indol-5-yl)-5-phenyl-1,2-oxazole is sourced from PubChem (CID 24761326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).