5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole

C9H12N2O — CID 83682334

IUPAC5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole
SMILESCc1cnc(C2=CCNCC2)o1
InChIInChI=1S/C9H12N2O/c1-7-6-11-9(12-7)8-2-4-10-5-3-8/h2,6,10H,3-5H2,1H3
InChIKeyHMDUNQMCXURMSS-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.36
Rot. Bonds1

About 5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole

5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole (PubChem CID 83682334) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole
PubChem CID83682334
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole
SMILESCc1cnc(C2=CCNCC2)o1
InChIInChI=1S/C9H12N2O/c1-7-6-11-9(12-7)8-2-4-10-5-3-8/h2,6,10H,3-5H2,1H3
InChIKeyHMDUNQMCXURMSS-UHFFFAOYSA-N
XLogP1.36
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole?
The IUPAC name of 5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole (CID 83682334) is 5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole?
The canonical SMILES for 5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole is Cc1cnc(C2=CCNCC2)o1.
What is the InChIKey of 5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole?
The InChIKey is HMDUNQMCXURMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-7-6-11-9(12-7)8-2-4-10-5-3-8/h2,6,10H,3-5H2,1H3.
What are the key properties of 5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole?
5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole has a molecular weight of 164.21 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole is sourced from PubChem (CID 83682334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).