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

C12H18N2O — CID 119055134

IUPAC5-tert-butyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole
SMILESCC(C)(C)c1cnc(C2=CCNCC2)o1
InChIInChI=1S/C12H18N2O/c1-12(2,3)10-8-14-11(15-10)9-4-6-13-7-5-9/h4,8,13H,5-7H2,1-3H3
InChIKeyXUBKFIUWJHBICO-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.35
Rot. Bonds1

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

5-tert-butyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole (PubChem CID 119055134) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 5-tert-butyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole.

Molecular Properties

Compound Name5-tert-butyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole
PubChem CID119055134
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name5-tert-butyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole
SMILESCC(C)(C)c1cnc(C2=CCNCC2)o1
InChIInChI=1S/C12H18N2O/c1-12(2,3)10-8-14-11(15-10)9-4-6-13-7-5-9/h4,8,13H,5-7H2,1-3H3
InChIKeyXUBKFIUWJHBICO-UHFFFAOYSA-N
XLogP2.35
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole?
The IUPAC name of 5-tert-butyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole (CID 119055134) is 5-tert-butyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole.
What is the SMILES notation for 5-tert-butyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole?
The canonical SMILES for 5-tert-butyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole is CC(C)(C)c1cnc(C2=CCNCC2)o1.
What is the InChIKey of 5-tert-butyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole?
The InChIKey is XUBKFIUWJHBICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-12(2,3)10-8-14-11(15-10)9-4-6-13-7-5-9/h4,8,13H,5-7H2,1-3H3.
What are the key properties of 5-tert-butyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole?
5-tert-butyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole has a molecular weight of 206.29 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole is sourced from PubChem (CID 119055134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).