3-(1-methylindol-3-yl)-1,2-oxazole

C12H10N2O — CID 12938679

IUPAC3-(1-methylindol-3-yl)-1,2-oxazole
SMILESCn1cc(-c2ccon2)c2ccccc21
InChIInChI=1S/C12H10N2O/c1-14-8-10(11-6-7-15-13-11)9-4-2-3-5-12(9)14/h2-8H,1H3
InChIKeyOJEPUEMTYOQEMW-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.83
Rot. Bonds1

About 3-(1-methylindol-3-yl)-1,2-oxazole

3-(1-methylindol-3-yl)-1,2-oxazole (PubChem CID 12938679) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is 3-(1-methylindol-3-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-(1-methylindol-3-yl)-1,2-oxazole
PubChem CID12938679
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Name3-(1-methylindol-3-yl)-1,2-oxazole
SMILESCn1cc(-c2ccon2)c2ccccc21
InChIInChI=1S/C12H10N2O/c1-14-8-10(11-6-7-15-13-11)9-4-2-3-5-12(9)14/h2-8H,1H3
InChIKeyOJEPUEMTYOQEMW-UHFFFAOYSA-N
XLogP2.83
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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5-(1-methylindol-3-yl)-1,3-oxazol-2-amine
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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylindol-3-yl)-1,2-oxazole?
The IUPAC name of 3-(1-methylindol-3-yl)-1,2-oxazole (CID 12938679) is 3-(1-methylindol-3-yl)-1,2-oxazole.
What is the SMILES notation for 3-(1-methylindol-3-yl)-1,2-oxazole?
The canonical SMILES for 3-(1-methylindol-3-yl)-1,2-oxazole is Cn1cc(-c2ccon2)c2ccccc21.
What is the InChIKey of 3-(1-methylindol-3-yl)-1,2-oxazole?
The InChIKey is OJEPUEMTYOQEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c1-14-8-10(11-6-7-15-13-11)9-4-2-3-5-12(9)14/h2-8H,1H3.
What are the key properties of 3-(1-methylindol-3-yl)-1,2-oxazole?
3-(1-methylindol-3-yl)-1,2-oxazole has a molecular weight of 198.22 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylindol-3-yl)-1,2-oxazole is sourced from PubChem (CID 12938679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).