4-(1H-indol-3-yl)-2-methyl-1,3-oxazole

C12H10N2O — CID 45276297

IUPAC4-(1H-indol-3-yl)-2-methyl-1,3-oxazole
SMILESCc1nc(-c2c[nH]c3ccccc23)co1
InChIInChI=1S/C12H10N2O/c1-8-14-12(7-15-8)10-6-13-11-5-3-2-4-9(10)11/h2-7,13H,1H3
InChIKeyGMSDVXKYXULZTL-UHFFFAOYSA-N
MW198.22 g/mol
LogP3.13
Rot. Bonds1

About 4-(1H-indol-3-yl)-2-methyl-1,3-oxazole

4-(1H-indol-3-yl)-2-methyl-1,3-oxazole (PubChem CID 45276297) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-2-methyl-1,3-oxazole
PubChem CID45276297
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Name4-(1H-indol-3-yl)-2-methyl-1,3-oxazole
SMILESCc1nc(-c2c[nH]c3ccccc23)co1
InChIInChI=1S/C12H10N2O/c1-8-14-12(7-15-8)10-6-13-11-5-3-2-4-9(10)11/h2-7,13H,1H3
InChIKeyGMSDVXKYXULZTL-UHFFFAOYSA-N
XLogP3.13
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 53.13
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)-2-methyl-1,3-oxazole?
The IUPAC name of 4-(1H-indol-3-yl)-2-methyl-1,3-oxazole (CID 45276297) is 4-(1H-indol-3-yl)-2-methyl-1,3-oxazole.
What is the SMILES notation for 4-(1H-indol-3-yl)-2-methyl-1,3-oxazole?
The canonical SMILES for 4-(1H-indol-3-yl)-2-methyl-1,3-oxazole is Cc1nc(-c2c[nH]c3ccccc23)co1.
What is the InChIKey of 4-(1H-indol-3-yl)-2-methyl-1,3-oxazole?
The InChIKey is GMSDVXKYXULZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c1-8-14-12(7-15-8)10-6-13-11-5-3-2-4-9(10)11/h2-7,13H,1H3.
What are the key properties of 4-(1H-indol-3-yl)-2-methyl-1,3-oxazole?
4-(1H-indol-3-yl)-2-methyl-1,3-oxazole has a molecular weight of 198.22 g/mol, XLogP of 3.13, 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)-2-methyl-1,3-oxazole is sourced from PubChem (CID 45276297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).