methyl 3-pyridin-2-yl-4,5-dihydro-1,2-oxazole-5-carboxylate

C10H10N2O3 — CID 89070674

IUPACmethyl 3-pyridin-2-yl-4,5-dihydro-1,2-oxazole-5-carboxylate
SMILESCOC(=O)C1CC(c2ccccn2)=NO1
InChIInChI=1S/C10H10N2O3/c1-14-10(13)9-6-8(12-15-9)7-4-2-3-5-11-7/h2-5,9H,6H2,1H3
InChIKeyNITDMIBPIKVBJU-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.75
Rot. Bonds2

About methyl 3-pyridin-2-yl-4,5-dihydro-1,2-oxazole-5-carboxylate

methyl 3-pyridin-2-yl-4,5-dihydro-1,2-oxazole-5-carboxylate (PubChem CID 89070674) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is methyl 3-pyridin-2-yl-4,5-dihydro-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-pyridin-2-yl-4,5-dihydro-1,2-oxazole-5-carboxylate
PubChem CID89070674
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Namemethyl 3-pyridin-2-yl-4,5-dihydro-1,2-oxazole-5-carboxylate
SMILESCOC(=O)C1CC(c2ccccn2)=NO1
InChIInChI=1S/C10H10N2O3/c1-14-10(13)9-6-8(12-15-9)7-4-2-3-5-11-7/h2-5,9H,6H2,1H3
InChIKeyNITDMIBPIKVBJU-UHFFFAOYSA-N
XLogP0.75
TPSA60.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-pyridin-2-yl-4,5-dihydro-1,2-oxazole-5-carboxylate 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 methyl 3-pyridin-2-yl-4,5-dihydro-1,2-oxazole-5-carboxylate?
The IUPAC name of methyl 3-pyridin-2-yl-4,5-dihydro-1,2-oxazole-5-carboxylate (CID 89070674) is methyl 3-pyridin-2-yl-4,5-dihydro-1,2-oxazole-5-carboxylate.
What is the SMILES notation for methyl 3-pyridin-2-yl-4,5-dihydro-1,2-oxazole-5-carboxylate?
The canonical SMILES for methyl 3-pyridin-2-yl-4,5-dihydro-1,2-oxazole-5-carboxylate is COC(=O)C1CC(c2ccccn2)=NO1.
What is the InChIKey of methyl 3-pyridin-2-yl-4,5-dihydro-1,2-oxazole-5-carboxylate?
The InChIKey is NITDMIBPIKVBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-14-10(13)9-6-8(12-15-9)7-4-2-3-5-11-7/h2-5,9H,6H2,1H3.
What are the key properties of methyl 3-pyridin-2-yl-4,5-dihydro-1,2-oxazole-5-carboxylate?
methyl 3-pyridin-2-yl-4,5-dihydro-1,2-oxazole-5-carboxylate has a molecular weight of 206.20 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-pyridin-2-yl-4,5-dihydro-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 89070674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).