(4R)-2-benzylsulfanyl-4-methyl-4,5-dihydro-1,3-oxazole

C11H13NOS — CID 11264240

IUPAC(4R)-2-benzylsulfanyl-4-methyl-4,5-dihydro-1,3-oxazole
SMILESC[C@@H]1COC(SCc2ccccc2)=N1
InChIInChI=1S/C11H13NOS/c1-9-7-13-11(12-9)14-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3/t9-/m1/s1
InChIKeyVOYAKTDSFHFGTJ-SECBINFHSA-N
MW207.30 g/mol
LogP2.69
Rot. Bonds2

About (4R)-2-benzylsulfanyl-4-methyl-4,5-dihydro-1,3-oxazole

(4R)-2-benzylsulfanyl-4-methyl-4,5-dihydro-1,3-oxazole (PubChem CID 11264240) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is (4R)-2-benzylsulfanyl-4-methyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R)-2-benzylsulfanyl-4-methyl-4,5-dihydro-1,3-oxazole
PubChem CID11264240
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name(4R)-2-benzylsulfanyl-4-methyl-4,5-dihydro-1,3-oxazole
SMILESC[C@@H]1COC(SCc2ccccc2)=N1
InChIInChI=1S/C11H13NOS/c1-9-7-13-11(12-9)14-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3/t9-/m1/s1
InChIKeyVOYAKTDSFHFGTJ-SECBINFHSA-N
XLogP2.69
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6H-1,3,5-Oxathiazine, 2-methyl-4-phenyl-
CID 3042018
[(4S,5S)-5-methyl-2-phenyl-4,5-dihydro-1,3-thiazol-4-yl]methanol
CID 145978113
Methyl (4R)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 12318800
2,6-dimethyl-4-phenyl-6H-1,3,5-oxathiazine
CID 14287769
ethyl (4R)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 11470364
2-Benzylsulfanyl-4,5-dihydro-1,3-oxazole
CID 14269241
2-Benzylsulfanyl-5-methoxy-4,5-dihydro-1,3-thiazole
CID 15156774
4-Carbethoxy-2-phenylthiazoline
CID 354030
Methyl 2-benzyl-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 17399147
Methyl 2-Phenyl-4,5-dihydrothiazole-4-carboxylate
CID 12318799
2-benzylsulfanyl-4,4-dimethyl-5H-1,3-oxazole
CID 12276225
N-benzyl-5-methyl-1,3-oxathiolan-2-imine
CID 13634205

Frequently Asked Questions

What is the IUPAC name of (4R)-2-benzylsulfanyl-4-methyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R)-2-benzylsulfanyl-4-methyl-4,5-dihydro-1,3-oxazole (CID 11264240) is (4R)-2-benzylsulfanyl-4-methyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R)-2-benzylsulfanyl-4-methyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R)-2-benzylsulfanyl-4-methyl-4,5-dihydro-1,3-oxazole is C[C@@H]1COC(SCc2ccccc2)=N1.
What is the InChIKey of (4R)-2-benzylsulfanyl-4-methyl-4,5-dihydro-1,3-oxazole?
The InChIKey is VOYAKTDSFHFGTJ-SECBINFHSA-N. The full InChI is InChI=1S/C11H13NOS/c1-9-7-13-11(12-9)14-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3/t9-/m1/s1.
What are the key properties of (4R)-2-benzylsulfanyl-4-methyl-4,5-dihydro-1,3-oxazole?
(4R)-2-benzylsulfanyl-4-methyl-4,5-dihydro-1,3-oxazole has a molecular weight of 207.30 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-benzylsulfanyl-4-methyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 11264240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).