3-[4-(1,3-oxazol-5-yl)-1H-indol-3-yl]-1,2-oxazole

C14H9N3O2 — CID 173270450

IUPAC3-[4-(1,3-oxazol-5-yl)-1H-indol-3-yl]-1,2-oxazole
SMILESc1cc(-c2cnco2)c2c(-c3ccon3)c[nH]c2c1
InChIInChI=1S/C14H9N3O2/c1-2-9(13-7-15-8-18-13)14-10(6-16-12(14)3-1)11-4-5-19-17-11/h1-8,16H
InChIKeyQKYQOJJSZVZEMX-UHFFFAOYSA-N
MW251.25 g/mol
LogP3.48
Rot. Bonds2

About 3-[4-(1,3-oxazol-5-yl)-1H-indol-3-yl]-1,2-oxazole

3-[4-(1,3-oxazol-5-yl)-1H-indol-3-yl]-1,2-oxazole (PubChem CID 173270450) has the molecular formula C14H9N3O2 and a molecular weight of 251.25 g/mol. Its IUPAC name is 3-[4-(1,3-oxazol-5-yl)-1H-indol-3-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-[4-(1,3-oxazol-5-yl)-1H-indol-3-yl]-1,2-oxazole
PubChem CID173270450
Molecular FormulaC14H9N3O2
Molecular Weight251.25 g/mol
Exact Mass251.07
IUPAC Name3-[4-(1,3-oxazol-5-yl)-1H-indol-3-yl]-1,2-oxazole
SMILESc1cc(-c2cnco2)c2c(-c3ccon3)c[nH]c2c1
InChIInChI=1S/C14H9N3O2/c1-2-9(13-7-15-8-18-13)14-10(6-16-12(14)3-1)11-4-5-19-17-11/h1-8,16H
InChIKeyQKYQOJJSZVZEMX-UHFFFAOYSA-N
XLogP3.48
TPSA67.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,3-oxazol-5-yl)-1H-indol-3-yl]-1,2-oxazole?
The IUPAC name of 3-[4-(1,3-oxazol-5-yl)-1H-indol-3-yl]-1,2-oxazole (CID 173270450) is 3-[4-(1,3-oxazol-5-yl)-1H-indol-3-yl]-1,2-oxazole.
What is the SMILES notation for 3-[4-(1,3-oxazol-5-yl)-1H-indol-3-yl]-1,2-oxazole?
The canonical SMILES for 3-[4-(1,3-oxazol-5-yl)-1H-indol-3-yl]-1,2-oxazole is c1cc(-c2cnco2)c2c(-c3ccon3)c[nH]c2c1.
What is the InChIKey of 3-[4-(1,3-oxazol-5-yl)-1H-indol-3-yl]-1,2-oxazole?
The InChIKey is QKYQOJJSZVZEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O2/c1-2-9(13-7-15-8-18-13)14-10(6-16-12(14)3-1)11-4-5-19-17-11/h1-8,16H.
What are the key properties of 3-[4-(1,3-oxazol-5-yl)-1H-indol-3-yl]-1,2-oxazole?
3-[4-(1,3-oxazol-5-yl)-1H-indol-3-yl]-1,2-oxazole has a molecular weight of 251.25 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1,3-oxazol-5-yl)-1H-indol-3-yl]-1,2-oxazole is sourced from PubChem (CID 173270450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).