dimethyl 3-(1-methylindol-2-yl)-1,2-oxazole-4,5-dicarboxylate

C16H14N2O5 — CID 10591328

IUPACdimethyl 3-(1-methylindol-2-yl)-1,2-oxazole-4,5-dicarboxylate
SMILESCOC(=O)c1onc(-c2cc3ccccc3n2C)c1C(=O)OC
InChIInChI=1S/C16H14N2O5/c1-18-10-7-5-4-6-9(10)8-11(18)13-12(15(19)21-2)14(23-17-13)16(20)22-3/h4-8H,1-3H3
InChIKeyFWDSFYPUWDEETQ-UHFFFAOYSA-N
MW314.30 g/mol
LogP2.41
Rot. Bonds3

About dimethyl 3-(1-methylindol-2-yl)-1,2-oxazole-4,5-dicarboxylate

dimethyl 3-(1-methylindol-2-yl)-1,2-oxazole-4,5-dicarboxylate (PubChem CID 10591328) has the molecular formula C16H14N2O5 and a molecular weight of 314.30 g/mol. Its IUPAC name is dimethyl 3-(1-methylindol-2-yl)-1,2-oxazole-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-(1-methylindol-2-yl)-1,2-oxazole-4,5-dicarboxylate
PubChem CID10591328
Molecular FormulaC16H14N2O5
Molecular Weight314.30 g/mol
Exact Mass314.09
IUPAC Namedimethyl 3-(1-methylindol-2-yl)-1,2-oxazole-4,5-dicarboxylate
SMILESCOC(=O)c1onc(-c2cc3ccccc3n2C)c1C(=O)OC
InChIInChI=1S/C16H14N2O5/c1-18-10-7-5-4-6-9(10)8-11(18)13-12(15(19)21-2)14(23-17-13)16(20)22-3/h4-8H,1-3H3
InChIKeyFWDSFYPUWDEETQ-UHFFFAOYSA-N
XLogP2.41
TPSA83.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze dimethyl 3-(1-methylindol-2-yl)-1,2-oxazole-4,5-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-(1-methylindol-2-yl)-1,2-oxazole-4,5-dicarboxylate?
The IUPAC name of dimethyl 3-(1-methylindol-2-yl)-1,2-oxazole-4,5-dicarboxylate (CID 10591328) is dimethyl 3-(1-methylindol-2-yl)-1,2-oxazole-4,5-dicarboxylate.
What is the SMILES notation for dimethyl 3-(1-methylindol-2-yl)-1,2-oxazole-4,5-dicarboxylate?
The canonical SMILES for dimethyl 3-(1-methylindol-2-yl)-1,2-oxazole-4,5-dicarboxylate is COC(=O)c1onc(-c2cc3ccccc3n2C)c1C(=O)OC.
What is the InChIKey of dimethyl 3-(1-methylindol-2-yl)-1,2-oxazole-4,5-dicarboxylate?
The InChIKey is FWDSFYPUWDEETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O5/c1-18-10-7-5-4-6-9(10)8-11(18)13-12(15(19)21-2)14(23-17-13)16(20)22-3/h4-8H,1-3H3.
What are the key properties of dimethyl 3-(1-methylindol-2-yl)-1,2-oxazole-4,5-dicarboxylate?
dimethyl 3-(1-methylindol-2-yl)-1,2-oxazole-4,5-dicarboxylate has a molecular weight of 314.30 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-(1-methylindol-2-yl)-1,2-oxazole-4,5-dicarboxylate is sourced from PubChem (CID 10591328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).