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

C12H7N3O — CID 137166423

IUPAC3-(1H-indol-3-yl)-1,2-oxazole-5-carbonitrile
SMILESN#Cc1cc(-c2c[nH]c3ccccc23)no1
InChIInChI=1S/C12H7N3O/c13-6-8-5-12(15-16-8)10-7-14-11-4-2-1-3-9(10)11/h1-5,7,14H
InChIKeyMGGZPNGEXKFLLJ-UHFFFAOYSA-N
MW209.21 g/mol
LogP2.69
Rot. Bonds1

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

3-(1H-indol-3-yl)-1,2-oxazole-5-carbonitrile (PubChem CID 137166423) has the molecular formula C12H7N3O and a molecular weight of 209.21 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-1,2-oxazole-5-carbonitrile.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-1,2-oxazole-5-carbonitrile
PubChem CID137166423
Molecular FormulaC12H7N3O
Molecular Weight209.21 g/mol
Exact Mass209.06
IUPAC Name3-(1H-indol-3-yl)-1,2-oxazole-5-carbonitrile
SMILESN#Cc1cc(-c2c[nH]c3ccccc23)no1
InChIInChI=1S/C12H7N3O/c13-6-8-5-12(15-16-8)10-7-14-11-4-2-1-3-9(10)11/h1-5,7,14H
InChIKeyMGGZPNGEXKFLLJ-UHFFFAOYSA-N
XLogP2.69
TPSA65.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-1,2-oxazole-5-carbonitrile?
The IUPAC name of 3-(1H-indol-3-yl)-1,2-oxazole-5-carbonitrile (CID 137166423) is 3-(1H-indol-3-yl)-1,2-oxazole-5-carbonitrile.
What is the SMILES notation for 3-(1H-indol-3-yl)-1,2-oxazole-5-carbonitrile?
The canonical SMILES for 3-(1H-indol-3-yl)-1,2-oxazole-5-carbonitrile is N#Cc1cc(-c2c[nH]c3ccccc23)no1.
What is the InChIKey of 3-(1H-indol-3-yl)-1,2-oxazole-5-carbonitrile?
The InChIKey is MGGZPNGEXKFLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N3O/c13-6-8-5-12(15-16-8)10-7-14-11-4-2-1-3-9(10)11/h1-5,7,14H.
What are the key properties of 3-(1H-indol-3-yl)-1,2-oxazole-5-carbonitrile?
3-(1H-indol-3-yl)-1,2-oxazole-5-carbonitrile has a molecular weight of 209.21 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-1,2-oxazole-5-carbonitrile is sourced from PubChem (CID 137166423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).