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

C15H16N2O — CID 637460

IUPAC5-(1H-indol-3-yl)-2-(2-methylpropyl)-1,3-oxazole
SMILESCC(C)Cc1ncc(-c2c[nH]c3ccccc23)o1
InChIInChI=1S/C15H16N2O/c1-10(2)7-15-17-9-14(18-15)12-8-16-13-6-4-3-5-11(12)13/h3-6,8-10,16H,7H2,1-2H3
InChIKeyDJGNEEKCRPWTKI-UHFFFAOYSA-N
MW240.31 g/mol
LogP4.02
Rot. Bonds3

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

5-(1H-indol-3-yl)-2-(2-methylpropyl)-1,3-oxazole (PubChem CID 637460) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 5-(1H-indol-3-yl)-2-(2-methylpropyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(1H-indol-3-yl)-2-(2-methylpropyl)-1,3-oxazole
PubChem CID637460
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name5-(1H-indol-3-yl)-2-(2-methylpropyl)-1,3-oxazole
SMILESCC(C)Cc1ncc(-c2c[nH]c3ccccc23)o1
InChIInChI=1S/C15H16N2O/c1-10(2)7-15-17-9-14(18-15)12-8-16-13-6-4-3-5-11(12)13/h3-6,8-10,16H,7H2,1-2H3
InChIKeyDJGNEEKCRPWTKI-UHFFFAOYSA-N
XLogP4.02
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-3-yl)-2-(2-methylpropyl)-1,3-oxazole?
The IUPAC name of 5-(1H-indol-3-yl)-2-(2-methylpropyl)-1,3-oxazole (CID 637460) is 5-(1H-indol-3-yl)-2-(2-methylpropyl)-1,3-oxazole.
What is the SMILES notation for 5-(1H-indol-3-yl)-2-(2-methylpropyl)-1,3-oxazole?
The canonical SMILES for 5-(1H-indol-3-yl)-2-(2-methylpropyl)-1,3-oxazole is CC(C)Cc1ncc(-c2c[nH]c3ccccc23)o1.
What is the InChIKey of 5-(1H-indol-3-yl)-2-(2-methylpropyl)-1,3-oxazole?
The InChIKey is DJGNEEKCRPWTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-10(2)7-15-17-9-14(18-15)12-8-16-13-6-4-3-5-11(12)13/h3-6,8-10,16H,7H2,1-2H3.
What are the key properties of 5-(1H-indol-3-yl)-2-(2-methylpropyl)-1,3-oxazole?
5-(1H-indol-3-yl)-2-(2-methylpropyl)-1,3-oxazole has a molecular weight of 240.31 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-3-yl)-2-(2-methylpropyl)-1,3-oxazole is sourced from PubChem (CID 637460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).