4-benzyl-2-phenylsulfanyl-4,5-dihydro-1,3-oxazole

C16H15NOS — CID 132508766

IUPAC4-benzyl-2-phenylsulfanyl-4,5-dihydro-1,3-oxazole
SMILESc1ccc(CC2COC(Sc3ccccc3)=N2)cc1
InChIInChI=1S/C16H15NOS/c1-3-7-13(8-4-1)11-14-12-18-16(17-14)19-15-9-5-2-6-10-15/h1-10,14H,11-12H2
InChIKeyIVXDULYZNVMWDQ-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.78
Rot. Bonds3

About 4-benzyl-2-phenylsulfanyl-4,5-dihydro-1,3-oxazole

4-benzyl-2-phenylsulfanyl-4,5-dihydro-1,3-oxazole (PubChem CID 132508766) has the molecular formula C16H15NOS and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-benzyl-2-phenylsulfanyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-benzyl-2-phenylsulfanyl-4,5-dihydro-1,3-oxazole
PubChem CID132508766
Molecular FormulaC16H15NOS
Molecular Weight269.37 g/mol
Exact Mass269.09
IUPAC Name4-benzyl-2-phenylsulfanyl-4,5-dihydro-1,3-oxazole
SMILESc1ccc(CC2COC(Sc3ccccc3)=N2)cc1
InChIInChI=1S/C16H15NOS/c1-3-7-13(8-4-1)11-14-12-18-16(17-14)19-15-9-5-2-6-10-15/h1-10,14H,11-12H2
InChIKeyIVXDULYZNVMWDQ-UHFFFAOYSA-N
XLogP3.78
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6R)-6-methyl-4-phenyl-2-phenylsulfanyl-5,6-dihydro-4H-1,3-oxazine
CID 138975380
2-[Phenyl(phenylsulfanyl)methyl]-4,5-dihydro-1,3-oxazole
CID 14940021
(5S)-4-(methoxymethyl)-2-methyl-5-phenyl-4,5-dihydro-1,3-thiazole
CID 359371
4-(Methoxymethyl)-2-methyl-5-phenyl-4,5-dihydro-1,3-thiazole
CID 4611946
(4S)-4-benzyl-2-[2-[(S)-(4-methylphenyl)sulfinyl]propan-2-yl]-4,5-dihydro-1,3-oxazole
CID 10903968
(4S)-4-benzyl-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-4,5-dihydro-1,3-oxazole
CID 10935912
(4S)-4-benzyl-2-[1-[(R)-(4-methylphenyl)sulfinyl]ethyl]-4,5-dihydro-1,3-oxazole
CID 10936328
Oxazolidine, 4-(phenylmethyl)-3-[(phenylthio)methyl]-, (4S)-
CID 12012906
lithium (4R)-4-benzyl-4,5-dihydro-1,3-oxazole-2-thiolate
CID 42616064
[5-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-4-phenylsulfanylcyclopenta-1,3-dien-1-yl]-trimethylsilane
CID 100954886
(4S)-4-benzyl-2-(2-phenylsulfanylcyclopenta-2,4-dien-1-yl)-4,5-dihydro-1,3-oxazole
CID 100954891
(4R)-4-benzyl-3-(phenylsulfanylmethyl)-1,3-oxazolidine
CID 101210023

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-phenylsulfanyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-benzyl-2-phenylsulfanyl-4,5-dihydro-1,3-oxazole (CID 132508766) is 4-benzyl-2-phenylsulfanyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-benzyl-2-phenylsulfanyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-benzyl-2-phenylsulfanyl-4,5-dihydro-1,3-oxazole is c1ccc(CC2COC(Sc3ccccc3)=N2)cc1.
What is the InChIKey of 4-benzyl-2-phenylsulfanyl-4,5-dihydro-1,3-oxazole?
The InChIKey is IVXDULYZNVMWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NOS/c1-3-7-13(8-4-1)11-14-12-18-16(17-14)19-15-9-5-2-6-10-15/h1-10,14H,11-12H2.
What are the key properties of 4-benzyl-2-phenylsulfanyl-4,5-dihydro-1,3-oxazole?
4-benzyl-2-phenylsulfanyl-4,5-dihydro-1,3-oxazole has a molecular weight of 269.37 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-phenylsulfanyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 132508766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).