(4S)-4-methyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole

C9H10N2O — CID 6711319

IUPAC(4S)-4-methyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole
SMILESC[C@H]1COC(c2ccccn2)=N1
InChIInChI=1S/C9H10N2O/c1-7-6-12-9(11-7)8-4-2-3-5-10-8/h2-5,7H,6H2,1H3/t7-/m0/s1
InChIKeyGNRGLELRZLUULL-ZETCQYMHSA-N
MW162.19 g/mol
LogP1.25
Rot. Bonds1

About (4S)-4-methyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole

(4S)-4-methyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 6711319) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is (4S)-4-methyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-methyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID6711319
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name(4S)-4-methyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole
SMILESC[C@H]1COC(c2ccccn2)=N1
InChIInChI=1S/C9H10N2O/c1-7-6-12-9(11-7)8-4-2-3-5-10-8/h2-5,7H,6H2,1H3/t7-/m0/s1
InChIKeyGNRGLELRZLUULL-ZETCQYMHSA-N
XLogP1.25
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-methyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole (CID 6711319) is (4S)-4-methyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-methyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-methyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole is C[C@H]1COC(c2ccccn2)=N1.
What is the InChIKey of (4S)-4-methyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is GNRGLELRZLUULL-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H10N2O/c1-7-6-12-9(11-7)8-4-2-3-5-10-8/h2-5,7H,6H2,1H3/t7-/m0/s1.
What are the key properties of (4S)-4-methyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole?
(4S)-4-methyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 162.19 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 6711319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).