5-(7-methoxyindolizin-1-yl)-2,4-dimethyl-1,3-oxazole

C14H14N2O2 — CID 169203032

IUPAC5-(7-methoxyindolizin-1-yl)-2,4-dimethyl-1,3-oxazole
SMILESCOc1ccn2ccc(-c3oc(C)nc3C)c2c1
InChIInChI=1S/C14H14N2O2/c1-9-14(18-10(2)15-9)12-5-7-16-6-4-11(17-3)8-13(12)16/h4-8H,1-3H3
InChIKeyYDWGRUIYUZBALE-UHFFFAOYSA-N
MW242.28 g/mol
LogP3.22
Rot. Bonds2

About 5-(7-methoxyindolizin-1-yl)-2,4-dimethyl-1,3-oxazole

5-(7-methoxyindolizin-1-yl)-2,4-dimethyl-1,3-oxazole (PubChem CID 169203032) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 5-(7-methoxyindolizin-1-yl)-2,4-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name5-(7-methoxyindolizin-1-yl)-2,4-dimethyl-1,3-oxazole
PubChem CID169203032
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name5-(7-methoxyindolizin-1-yl)-2,4-dimethyl-1,3-oxazole
SMILESCOc1ccn2ccc(-c3oc(C)nc3C)c2c1
InChIInChI=1S/C14H14N2O2/c1-9-14(18-10(2)15-9)12-5-7-16-6-4-11(17-3)8-13(12)16/h4-8H,1-3H3
InChIKeyYDWGRUIYUZBALE-UHFFFAOYSA-N
XLogP3.22
TPSA39.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(7-methoxyindolizin-1-yl)-2,4-dimethyl-1,3-oxazole?
The IUPAC name of 5-(7-methoxyindolizin-1-yl)-2,4-dimethyl-1,3-oxazole (CID 169203032) is 5-(7-methoxyindolizin-1-yl)-2,4-dimethyl-1,3-oxazole.
What is the SMILES notation for 5-(7-methoxyindolizin-1-yl)-2,4-dimethyl-1,3-oxazole?
The canonical SMILES for 5-(7-methoxyindolizin-1-yl)-2,4-dimethyl-1,3-oxazole is COc1ccn2ccc(-c3oc(C)nc3C)c2c1.
What is the InChIKey of 5-(7-methoxyindolizin-1-yl)-2,4-dimethyl-1,3-oxazole?
The InChIKey is YDWGRUIYUZBALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-9-14(18-10(2)15-9)12-5-7-16-6-4-11(17-3)8-13(12)16/h4-8H,1-3H3.
What are the key properties of 5-(7-methoxyindolizin-1-yl)-2,4-dimethyl-1,3-oxazole?
5-(7-methoxyindolizin-1-yl)-2,4-dimethyl-1,3-oxazole has a molecular weight of 242.28 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-methoxyindolizin-1-yl)-2,4-dimethyl-1,3-oxazole is sourced from PubChem (CID 169203032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).