(4S)-2-(methylsulfanylmethyl)-4-phenyl-4,5-dihydro-1,3-oxazole

C11H13NOS — CID 15643573

IUPAC(4S)-2-(methylsulfanylmethyl)-4-phenyl-4,5-dihydro-1,3-oxazole
SMILESCSCC1=N[C@@H](c2ccccc2)CO1
InChIInChI=1S/C11H13NOS/c1-14-8-11-12-10(7-13-11)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3/t10-/m1/s1
InChIKeyKDODBQYPZLZAHT-SNVBAGLBSA-N
MW207.30 g/mol
LogP2.52
Rot. Bonds3

About (4S)-2-(methylsulfanylmethyl)-4-phenyl-4,5-dihydro-1,3-oxazole

(4S)-2-(methylsulfanylmethyl)-4-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 15643573) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is (4S)-2-(methylsulfanylmethyl)-4-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2-(methylsulfanylmethyl)-4-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID15643573
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name(4S)-2-(methylsulfanylmethyl)-4-phenyl-4,5-dihydro-1,3-oxazole
SMILESCSCC1=N[C@@H](c2ccccc2)CO1
InChIInChI=1S/C11H13NOS/c1-14-8-11-12-10(7-13-11)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3/t10-/m1/s1
InChIKeyKDODBQYPZLZAHT-SNVBAGLBSA-N
XLogP2.52
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-(methylsulfanylmethyl)-4-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-2-(methylsulfanylmethyl)-4-phenyl-4,5-dihydro-1,3-oxazole (CID 15643573) is (4S)-2-(methylsulfanylmethyl)-4-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-2-(methylsulfanylmethyl)-4-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-2-(methylsulfanylmethyl)-4-phenyl-4,5-dihydro-1,3-oxazole is CSCC1=N[C@@H](c2ccccc2)CO1.
What is the InChIKey of (4S)-2-(methylsulfanylmethyl)-4-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is KDODBQYPZLZAHT-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13NOS/c1-14-8-11-12-10(7-13-11)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3/t10-/m1/s1.
What are the key properties of (4S)-2-(methylsulfanylmethyl)-4-phenyl-4,5-dihydro-1,3-oxazole?
(4S)-2-(methylsulfanylmethyl)-4-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 207.30 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(methylsulfanylmethyl)-4-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 15643573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).