5-methoxy-2-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole

C9H12N2O2 — CID 19612517

IUPAC5-methoxy-2-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole
SMILESCOc1cnc(C2=CCCNC2)o1
InChIInChI=1S/C9H12N2O2/c1-12-8-6-11-9(13-8)7-3-2-4-10-5-7/h3,6,10H,2,4-5H2,1H3
InChIKeyDFGUXSMUKNNSHB-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.06
Rot. Bonds2

About 5-methoxy-2-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole

5-methoxy-2-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole (PubChem CID 19612517) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 5-methoxy-2-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole.

Molecular Properties

Compound Name5-methoxy-2-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole
PubChem CID19612517
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name5-methoxy-2-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole
SMILESCOc1cnc(C2=CCCNC2)o1
InChIInChI=1S/C9H12N2O2/c1-12-8-6-11-9(13-8)7-3-2-4-10-5-7/h3,6,10H,2,4-5H2,1H3
InChIKeyDFGUXSMUKNNSHB-UHFFFAOYSA-N
XLogP1.06
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methoxy-2-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole 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 5-methoxy-2-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole?
The IUPAC name of 5-methoxy-2-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole (CID 19612517) is 5-methoxy-2-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole.
What is the SMILES notation for 5-methoxy-2-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole?
The canonical SMILES for 5-methoxy-2-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole is COc1cnc(C2=CCCNC2)o1.
What is the InChIKey of 5-methoxy-2-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole?
The InChIKey is DFGUXSMUKNNSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-12-8-6-11-9(13-8)7-3-2-4-10-5-7/h3,6,10H,2,4-5H2,1H3.
What are the key properties of 5-methoxy-2-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole?
5-methoxy-2-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole has a molecular weight of 180.21 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-oxazole is sourced from PubChem (CID 19612517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).