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

C11H14N2OS — CID 10609072

IUPAC(4S)-4-(2-methylsulfanylethyl)-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole
SMILESCSCC[C@H]1COC(c2ccccn2)=N1
InChIInChI=1S/C11H14N2OS/c1-15-7-5-9-8-14-11(13-9)10-4-2-3-6-12-10/h2-4,6,9H,5,7-8H2,1H3/t9-/m0/s1
InChIKeyIINCGUBMNCFCSB-VIFPVBQESA-N
MW222.31 g/mol
LogP1.98
Rot. Bonds4

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

(4S)-4-(2-methylsulfanylethyl)-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 10609072) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is (4S)-4-(2-methylsulfanylethyl)-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-(2-methylsulfanylethyl)-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID10609072
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name(4S)-4-(2-methylsulfanylethyl)-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole
SMILESCSCC[C@H]1COC(c2ccccn2)=N1
InChIInChI=1S/C11H14N2OS/c1-15-7-5-9-8-14-11(13-9)10-4-2-3-6-12-10/h2-4,6,9H,5,7-8H2,1H3/t9-/m0/s1
InChIKeyIINCGUBMNCFCSB-VIFPVBQESA-N
XLogP1.98
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-methylsulfanylethyl)-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-(2-methylsulfanylethyl)-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole (CID 10609072) is (4S)-4-(2-methylsulfanylethyl)-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-(2-methylsulfanylethyl)-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-(2-methylsulfanylethyl)-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole is CSCC[C@H]1COC(c2ccccn2)=N1.
What is the InChIKey of (4S)-4-(2-methylsulfanylethyl)-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is IINCGUBMNCFCSB-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14N2OS/c1-15-7-5-9-8-14-11(13-9)10-4-2-3-6-12-10/h2-4,6,9H,5,7-8H2,1H3/t9-/m0/s1.
What are the key properties of (4S)-4-(2-methylsulfanylethyl)-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole?
(4S)-4-(2-methylsulfanylethyl)-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 222.31 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-methylsulfanylethyl)-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 10609072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).