4,4-dimethyl-2-(4-methyl-3-pyridinyl)-5H-1,3-oxazole

C11H14N2O — CID 2796523

IUPAC4,4-dimethyl-2-(4-methyl-3-pyridinyl)-5H-1,3-oxazole
SMILESCc1ccncc1C1=NC(C)(C)CO1
InChIInChI=1S/C11H14N2O/c1-8-4-5-12-6-9(8)10-13-11(2,3)7-14-10/h4-6H,7H2,1-3H3
InChIKeyMWTCTUQKTUNCRO-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.95
Rot. Bonds1

About 4,4-dimethyl-2-(4-methyl-3-pyridinyl)-5H-1,3-oxazole

4,4-dimethyl-2-(4-methyl-3-pyridinyl)-5H-1,3-oxazole (PubChem CID 2796523) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 4,4-dimethyl-2-(4-methyl-3-pyridinyl)-5H-1,3-oxazole.

Molecular Properties

Compound Name4,4-dimethyl-2-(4-methyl-3-pyridinyl)-5H-1,3-oxazole
PubChem CID2796523
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name4,4-dimethyl-2-(4-methyl-3-pyridinyl)-5H-1,3-oxazole
SMILESCc1ccncc1C1=NC(C)(C)CO1
InChIInChI=1S/C11H14N2O/c1-8-4-5-12-6-9(8)10-13-11(2,3)7-14-10/h4-6H,7H2,1-3H3
InChIKeyMWTCTUQKTUNCRO-UHFFFAOYSA-N
XLogP1.95
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Methylpyridin-3-yl)methanol
CID 232487
4-(2-Ethoxyethyl)pyridine
CID 232544
(Pyridin-3-yl)methyl acetate
CID 295656
(2-Methylpyridin-3-yl)methanol
CID 302564
Anibine
CID 249887
3-[(Piperidin-3-yloxy)methyl]pyridine
CID 45786849
Pyridin-3-ylmethyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
CID 14671646
1-Methylpyridin-1-ium-3-carboximidate--hydrogen chloride (1/1)
CID 46832345
1-(Pyridin-3-yl)propan-1-ol
CID 11083942
(S)-4-tert-Butyl-2-(2-pyridyl)oxazoline
CID 14337774
2-(Pyridin-3-yl)propan-2-ol
CID 10725403
3-(Tetrahydro-2-furanyl)pyridine
CID 53908098

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(4-methyl-3-pyridinyl)-5H-1,3-oxazole?
The IUPAC name of 4,4-dimethyl-2-(4-methyl-3-pyridinyl)-5H-1,3-oxazole (CID 2796523) is 4,4-dimethyl-2-(4-methyl-3-pyridinyl)-5H-1,3-oxazole.
What is the SMILES notation for 4,4-dimethyl-2-(4-methyl-3-pyridinyl)-5H-1,3-oxazole?
The canonical SMILES for 4,4-dimethyl-2-(4-methyl-3-pyridinyl)-5H-1,3-oxazole is Cc1ccncc1C1=NC(C)(C)CO1.
What is the InChIKey of 4,4-dimethyl-2-(4-methyl-3-pyridinyl)-5H-1,3-oxazole?
The InChIKey is MWTCTUQKTUNCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-8-4-5-12-6-9(8)10-13-11(2,3)7-14-10/h4-6H,7H2,1-3H3.
What are the key properties of 4,4-dimethyl-2-(4-methyl-3-pyridinyl)-5H-1,3-oxazole?
4,4-dimethyl-2-(4-methyl-3-pyridinyl)-5H-1,3-oxazole has a molecular weight of 190.25 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(4-methyl-3-pyridinyl)-5H-1,3-oxazole is sourced from PubChem (CID 2796523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).