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

C13H20N2O — CID 141168020

IUPAC4,5-dimethyl-2-(6-propan-2-yl-1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole
SMILESCc1nc(C2=CC(C(C)C)NCC2)oc1C
InChIInChI=1S/C13H20N2O/c1-8(2)12-7-11(5-6-14-12)13-15-9(3)10(4)16-13/h7-8,12,14H,5-6H2,1-4H3
InChIKeyOKLYRMJYUNIZKB-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.69
Rot. Bonds2

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

4,5-dimethyl-2-(6-propan-2-yl-1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole (PubChem CID 141168020) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 4,5-dimethyl-2-(6-propan-2-yl-1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole.

Molecular Properties

Compound Name4,5-dimethyl-2-(6-propan-2-yl-1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole
PubChem CID141168020
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name4,5-dimethyl-2-(6-propan-2-yl-1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole
SMILESCc1nc(C2=CC(C(C)C)NCC2)oc1C
InChIInChI=1S/C13H20N2O/c1-8(2)12-7-11(5-6-14-12)13-15-9(3)10(4)16-13/h7-8,12,14H,5-6H2,1-4H3
InChIKeyOKLYRMJYUNIZKB-UHFFFAOYSA-N
XLogP2.69
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,5-dimethyl-2-(6-propan-2-yl-1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole with MolForge

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Related Compounds

2-[(E)-hex-2-en-2-yl]-4,5-dimethyl-1,3-oxazole
CID 57753798
4,5-dimethyl-2-[(E)-4-methylpent-1-enyl]-1,3-oxazole
CID 57753803
5-ethenyl-2-piperidin-4-yl-4-[(Z)-prop-1-enyl]-1,3-oxazole
CID 89901258
4,5-Dimethyl-2-(4-methylpent-1-enyl)-1,3-oxazole
CID 90711742
2-Hex-2-en-2-yl-4,5-dimethyl-1,3-oxazole
CID 91183788
carbanide;2-piperidin-4-yl-5H-1,3-benzoxazol-5-ide;tungsten(2+)
CID 155572340
Methyl 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-ethylbut-2-enoate
CID 114180558
3-(4,5-Dimethyl-1,3-oxazol-2-yl)but-3-en-1-amine
CID 165612172
4-(4,5-Dimethyl-1,3-oxazol-2-yl)but-3-en-2-amine
CID 165784338

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(6-propan-2-yl-1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole?
The IUPAC name of 4,5-dimethyl-2-(6-propan-2-yl-1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole (CID 141168020) is 4,5-dimethyl-2-(6-propan-2-yl-1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole.
What is the SMILES notation for 4,5-dimethyl-2-(6-propan-2-yl-1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole?
The canonical SMILES for 4,5-dimethyl-2-(6-propan-2-yl-1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole is Cc1nc(C2=CC(C(C)C)NCC2)oc1C.
What is the InChIKey of 4,5-dimethyl-2-(6-propan-2-yl-1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole?
The InChIKey is OKLYRMJYUNIZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-8(2)12-7-11(5-6-14-12)13-15-9(3)10(4)16-13/h7-8,12,14H,5-6H2,1-4H3.
What are the key properties of 4,5-dimethyl-2-(6-propan-2-yl-1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole?
4,5-dimethyl-2-(6-propan-2-yl-1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole has a molecular weight of 220.32 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(6-propan-2-yl-1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole is sourced from PubChem (CID 141168020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).