4-(1H-indol-6-yl)-3,5-dimethyl-1,2-oxazole

C13H12N2O — CID 90667396

IUPAC4-(1H-indol-6-yl)-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1ccc2cc[nH]c2c1
InChIInChI=1S/C13H12N2O/c1-8-13(9(2)16-15-8)11-4-3-10-5-6-14-12(10)7-11/h3-7,14H,1-2H3
InChIKeyNIKGABUMNIRZLU-UHFFFAOYSA-N
MW212.25 g/mol
LogP3.44
Rot. Bonds1

About 4-(1H-indol-6-yl)-3,5-dimethyl-1,2-oxazole

4-(1H-indol-6-yl)-3,5-dimethyl-1,2-oxazole (PubChem CID 90667396) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-(1H-indol-6-yl)-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-(1H-indol-6-yl)-3,5-dimethyl-1,2-oxazole
PubChem CID90667396
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name4-(1H-indol-6-yl)-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1ccc2cc[nH]c2c1
InChIInChI=1S/C13H12N2O/c1-8-13(9(2)16-15-8)11-4-3-10-5-6-14-12(10)7-11/h3-7,14H,1-2H3
InChIKeyNIKGABUMNIRZLU-UHFFFAOYSA-N
XLogP3.44
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-6-yl)-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-(1H-indol-6-yl)-3,5-dimethyl-1,2-oxazole (CID 90667396) is 4-(1H-indol-6-yl)-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-(1H-indol-6-yl)-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-(1H-indol-6-yl)-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1-c1ccc2cc[nH]c2c1.
What is the InChIKey of 4-(1H-indol-6-yl)-3,5-dimethyl-1,2-oxazole?
The InChIKey is NIKGABUMNIRZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c1-8-13(9(2)16-15-8)11-4-3-10-5-6-14-12(10)7-11/h3-7,14H,1-2H3.
What are the key properties of 4-(1H-indol-6-yl)-3,5-dimethyl-1,2-oxazole?
4-(1H-indol-6-yl)-3,5-dimethyl-1,2-oxazole has a molecular weight of 212.25 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-6-yl)-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 90667396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).