4-(1H-indol-3-yl)-1,3-oxazole

C11H8N2O — CID 45276627

IUPAC4-(1H-indol-3-yl)-1,3-oxazole
SMILESc1ccc2c(-c3cocn3)c[nH]c2c1
InChIInChI=1S/C11H8N2O/c1-2-4-10-8(3-1)9(5-12-10)11-6-14-7-13-11/h1-7,12H
InChIKeyIWHWVOLWEGLICO-UHFFFAOYSA-N
MW184.20 g/mol
LogP2.82
Rot. Bonds1

About 4-(1H-indol-3-yl)-1,3-oxazole

4-(1H-indol-3-yl)-1,3-oxazole (PubChem CID 45276627) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-1,3-oxazole.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-1,3-oxazole
PubChem CID45276627
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name4-(1H-indol-3-yl)-1,3-oxazole
SMILESc1ccc2c(-c3cocn3)c[nH]c2c1
InChIInChI=1S/C11H8N2O/c1-2-4-10-8(3-1)9(5-12-10)11-6-14-7-13-11/h1-7,12H
InChIKeyIWHWVOLWEGLICO-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 4-(1H-indol-3-yl)-1,3-oxazole?
The IUPAC name of 4-(1H-indol-3-yl)-1,3-oxazole (CID 45276627) is 4-(1H-indol-3-yl)-1,3-oxazole.
What is the SMILES notation for 4-(1H-indol-3-yl)-1,3-oxazole?
The canonical SMILES for 4-(1H-indol-3-yl)-1,3-oxazole is c1ccc2c(-c3cocn3)c[nH]c2c1.
What is the InChIKey of 4-(1H-indol-3-yl)-1,3-oxazole?
The InChIKey is IWHWVOLWEGLICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O/c1-2-4-10-8(3-1)9(5-12-10)11-6-14-7-13-11/h1-7,12H.
What are the key properties of 4-(1H-indol-3-yl)-1,3-oxazole?
4-(1H-indol-3-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 4-(1H-indol-3-yl)-1,3-oxazole is sourced from PubChem (CID 45276627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).