2-[(5-methoxy-1H-indol-3-yl)methyl]-5-methyl-1,3-oxazole

C14H14N2O2 — CID 86273223

IUPAC2-[(5-methoxy-1H-indol-3-yl)methyl]-5-methyl-1,3-oxazole
SMILESCOc1ccc2[nH]cc(Cc3ncc(C)o3)c2c1
InChIInChI=1S/C14H14N2O2/c1-9-7-16-14(18-9)5-10-8-15-13-4-3-11(17-2)6-12(10)13/h3-4,6-8,15H,5H2,1-2H3
InChIKeyIMPJQMQNCUKICE-UHFFFAOYSA-N
MW242.28 g/mol
LogP3.06
Rot. Bonds3

About 2-[(5-methoxy-1H-indol-3-yl)methyl]-5-methyl-1,3-oxazole

2-[(5-methoxy-1H-indol-3-yl)methyl]-5-methyl-1,3-oxazole (PubChem CID 86273223) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-[(5-methoxy-1H-indol-3-yl)methyl]-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-[(5-methoxy-1H-indol-3-yl)methyl]-5-methyl-1,3-oxazole
PubChem CID86273223
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name2-[(5-methoxy-1H-indol-3-yl)methyl]-5-methyl-1,3-oxazole
SMILESCOc1ccc2[nH]cc(Cc3ncc(C)o3)c2c1
InChIInChI=1S/C14H14N2O2/c1-9-7-16-14(18-9)5-10-8-15-13-4-3-11(17-2)6-12(10)13/h3-4,6-8,15H,5H2,1-2H3
InChIKeyIMPJQMQNCUKICE-UHFFFAOYSA-N
XLogP3.06
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methoxy-1H-indol-3-yl)methyl]-5-methyl-1,3-oxazole?
The IUPAC name of 2-[(5-methoxy-1H-indol-3-yl)methyl]-5-methyl-1,3-oxazole (CID 86273223) is 2-[(5-methoxy-1H-indol-3-yl)methyl]-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-[(5-methoxy-1H-indol-3-yl)methyl]-5-methyl-1,3-oxazole?
The canonical SMILES for 2-[(5-methoxy-1H-indol-3-yl)methyl]-5-methyl-1,3-oxazole is COc1ccc2[nH]cc(Cc3ncc(C)o3)c2c1.
What is the InChIKey of 2-[(5-methoxy-1H-indol-3-yl)methyl]-5-methyl-1,3-oxazole?
The InChIKey is IMPJQMQNCUKICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-9-7-16-14(18-9)5-10-8-15-13-4-3-11(17-2)6-12(10)13/h3-4,6-8,15H,5H2,1-2H3.
What are the key properties of 2-[(5-methoxy-1H-indol-3-yl)methyl]-5-methyl-1,3-oxazole?
2-[(5-methoxy-1H-indol-3-yl)methyl]-5-methyl-1,3-oxazole has a molecular weight of 242.28 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methoxy-1H-indol-3-yl)methyl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 86273223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).