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

C11H8N2O — CID 852045

IUPAC5-(1H-indol-2-yl)-1,3-oxazole
SMILESc1ccc2[nH]c(-c3cnco3)cc2c1
InChIInChI=1S/C11H8N2O/c1-2-4-9-8(3-1)5-10(13-9)11-6-12-7-14-11/h1-7,13H
InChIKeyBEBLWCZQFBJRRA-UHFFFAOYSA-N
MW184.20 g/mol
LogP2.82
Rot. Bonds1

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

5-(1H-indol-2-yl)-1,3-oxazole (PubChem CID 852045) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is 5-(1H-indol-2-yl)-1,3-oxazole.

Molecular Properties

Compound Name5-(1H-indol-2-yl)-1,3-oxazole
PubChem CID852045
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name5-(1H-indol-2-yl)-1,3-oxazole
SMILESc1ccc2[nH]c(-c3cnco3)cc2c1
InChIInChI=1S/C11H8N2O/c1-2-4-9-8(3-1)5-10(13-9)11-6-12-7-14-11/h1-7,13H
InChIKeyBEBLWCZQFBJRRA-UHFFFAOYSA-N
XLogP2.82
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-2-yl)-1,3-oxazole?
The IUPAC name of 5-(1H-indol-2-yl)-1,3-oxazole (CID 852045) is 5-(1H-indol-2-yl)-1,3-oxazole.
What is the SMILES notation for 5-(1H-indol-2-yl)-1,3-oxazole?
The canonical SMILES for 5-(1H-indol-2-yl)-1,3-oxazole is c1ccc2[nH]c(-c3cnco3)cc2c1.
What is the InChIKey of 5-(1H-indol-2-yl)-1,3-oxazole?
The InChIKey is BEBLWCZQFBJRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O/c1-2-4-9-8(3-1)5-10(13-9)11-6-12-7-14-11/h1-7,13H.
What are the key properties of 5-(1H-indol-2-yl)-1,3-oxazole?
5-(1H-indol-2-yl)-1,3-oxazole has a molecular weight of 184.20 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-2-yl)-1,3-oxazole is sourced from PubChem (CID 852045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).