3,5-dimethyl-4-[(5-methylindol-1-yl)methyl]-1,2-oxazole

C15H16N2O — CID 71103366

IUPAC3,5-dimethyl-4-[(5-methylindol-1-yl)methyl]-1,2-oxazole
SMILESCc1ccc2c(ccn2Cc2c(C)noc2C)c1
InChIInChI=1S/C15H16N2O/c1-10-4-5-15-13(8-10)6-7-17(15)9-14-11(2)16-18-12(14)3/h4-8H,9H2,1-3H3
InChIKeyNFEPVGRDFWDQRO-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.60
Rot. Bonds2

About 3,5-dimethyl-4-[(5-methylindol-1-yl)methyl]-1,2-oxazole

3,5-dimethyl-4-[(5-methylindol-1-yl)methyl]-1,2-oxazole (PubChem CID 71103366) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 3,5-dimethyl-4-[(5-methylindol-1-yl)methyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[(5-methylindol-1-yl)methyl]-1,2-oxazole
PubChem CID71103366
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name3,5-dimethyl-4-[(5-methylindol-1-yl)methyl]-1,2-oxazole
SMILESCc1ccc2c(ccn2Cc2c(C)noc2C)c1
InChIInChI=1S/C15H16N2O/c1-10-4-5-15-13(8-10)6-7-17(15)9-14-11(2)16-18-12(14)3/h4-8H,9H2,1-3H3
InChIKeyNFEPVGRDFWDQRO-UHFFFAOYSA-N
XLogP3.60
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[(5-methylindol-1-yl)methyl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[(5-methylindol-1-yl)methyl]-1,2-oxazole (CID 71103366) is 3,5-dimethyl-4-[(5-methylindol-1-yl)methyl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[(5-methylindol-1-yl)methyl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[(5-methylindol-1-yl)methyl]-1,2-oxazole is Cc1ccc2c(ccn2Cc2c(C)noc2C)c1.
What is the InChIKey of 3,5-dimethyl-4-[(5-methylindol-1-yl)methyl]-1,2-oxazole?
The InChIKey is NFEPVGRDFWDQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-10-4-5-15-13(8-10)6-7-17(15)9-14-11(2)16-18-12(14)3/h4-8H,9H2,1-3H3.
What are the key properties of 3,5-dimethyl-4-[(5-methylindol-1-yl)methyl]-1,2-oxazole?
3,5-dimethyl-4-[(5-methylindol-1-yl)methyl]-1,2-oxazole has a molecular weight of 240.31 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[(5-methylindol-1-yl)methyl]-1,2-oxazole is sourced from PubChem (CID 71103366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).