4,4-dimethyl-2-pyridin-2-yl-5H-1,3-oxazole

C10H12N2O — CID 3724387

IUPAC4,4-dimethyl-2-pyridin-2-yl-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccccn2)=N1
InChIInChI=1S/C10H12N2O/c1-10(2)7-13-9(12-10)8-5-3-4-6-11-8/h3-6H,7H2,1-2H3
InChIKeyZANPCQHDEUORJP-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.64
Rot. Bonds1

About 4,4-dimethyl-2-pyridin-2-yl-5H-1,3-oxazole

4,4-dimethyl-2-pyridin-2-yl-5H-1,3-oxazole (PubChem CID 3724387) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 4,4-dimethyl-2-pyridin-2-yl-5H-1,3-oxazole.

Molecular Properties

Compound Name4,4-dimethyl-2-pyridin-2-yl-5H-1,3-oxazole
PubChem CID3724387
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name4,4-dimethyl-2-pyridin-2-yl-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccccn2)=N1
InChIInChI=1S/C10H12N2O/c1-10(2)7-13-9(12-10)8-5-3-4-6-11-8/h3-6H,7H2,1-2H3
InChIKeyZANPCQHDEUORJP-UHFFFAOYSA-N
XLogP1.64
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Doxylamine
CID 3162
Piconol
CID 11474
2-(2-Methoxyethyl)pyridine
CID 66991
2-Pyridinemethanol, 2-acetate
CID 13881
(R,R)-2,6-Bis(4-isopropyl-2-oxazolin-2-yl)pyridine
CID 688213
2-(2-Ethoxyethyl)pyridine
CID 98758
Pyridin-2-ylmethyl phenylcarbamate
CID 658831
(S,S)-2,6-Bis(4-isopropyl-2-oxazolin-2-yl)pyridine
CID 688211
alpha-Methyl-2-pyridinemethanol
CID 86784
Methyl Picolinimidate
CID 152260
Pyridine, 2-(2-(1-methylethoxy)ethyl)-
CID 116853
2,6-Bis(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)pyridine
CID 343127

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-pyridin-2-yl-5H-1,3-oxazole?
The IUPAC name of 4,4-dimethyl-2-pyridin-2-yl-5H-1,3-oxazole (CID 3724387) is 4,4-dimethyl-2-pyridin-2-yl-5H-1,3-oxazole.
What is the SMILES notation for 4,4-dimethyl-2-pyridin-2-yl-5H-1,3-oxazole?
The canonical SMILES for 4,4-dimethyl-2-pyridin-2-yl-5H-1,3-oxazole is CC1(C)COC(c2ccccn2)=N1.
What is the InChIKey of 4,4-dimethyl-2-pyridin-2-yl-5H-1,3-oxazole?
The InChIKey is ZANPCQHDEUORJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-10(2)7-13-9(12-10)8-5-3-4-6-11-8/h3-6H,7H2,1-2H3.
What are the key properties of 4,4-dimethyl-2-pyridin-2-yl-5H-1,3-oxazole?
4,4-dimethyl-2-pyridin-2-yl-5H-1,3-oxazole has a molecular weight of 176.22 g/mol, XLogP of 1.64, 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-pyridin-2-yl-5H-1,3-oxazole is sourced from PubChem (CID 3724387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).