2-phenylsulfanyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole

C12H15NOS — CID 132508764

IUPAC2-phenylsulfanyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)C1COC(Sc2ccccc2)=N1
InChIInChI=1S/C12H15NOS/c1-9(2)11-8-14-12(13-11)15-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChIKeyVLNVRGXSXUHDKZ-UHFFFAOYSA-N
MW221.33 g/mol
LogP3.19
Rot. Bonds2

About 2-phenylsulfanyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole

2-phenylsulfanyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 132508764) has the molecular formula C12H15NOS and a molecular weight of 221.33 g/mol. Its IUPAC name is 2-phenylsulfanyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-phenylsulfanyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID132508764
Molecular FormulaC12H15NOS
Molecular Weight221.33 g/mol
Exact Mass221.09
IUPAC Name2-phenylsulfanyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)C1COC(Sc2ccccc2)=N1
InChIInChI=1S/C12H15NOS/c1-9(2)11-8-14-12(13-11)15-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChIKeyVLNVRGXSXUHDKZ-UHFFFAOYSA-N
XLogP3.19
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

O-ethyl S-phenyl cyclohexylcarbonimidothioate
CID 146036169
2-(3,5-Difluorophenyl)sulfanyl-4-methyl-4,5-dihydro-1,3-oxazole
CID 132508771
4,4-Dimethyl-2-(phenylsulfanyl)-4,5-dihydro-1,3-oxazole
CID 13047578
2-Phenylsulfanyl-4,5-dihydro-1,3-oxazole
CID 19356306
2-(4-Methylphenyl)sulfanyl-4,5-dihydro-1,3-oxazole
CID 20781139
4-(Phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazole
CID 173725036
(4S)-4-tert-butyl-2-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazole
CID 9992269
(4S)-2-(phenylsulfanylmethyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 10466612
(2S,5R)-3,6-dimethoxy-2-(2-phenylsulfanylprop-2-enyl)-5-propan-2-yl-2,5-dihydropyrazine
CID 10735346
(4R)-2-benzylsulfanyl-4-methyl-4,5-dihydro-1,3-oxazole
CID 11264240
(4S)-4-tert-butyl-2-(2-phenylsulfanylcyclopenta-2,4-dien-1-yl)-4,5-dihydro-1,3-oxazole
CID 12165896
4,4-dimethyl-2-(4-methylphenyl)sulfanyl-5H-1,3-oxazole
CID 13047579

Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-phenylsulfanyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole (CID 132508764) is 2-phenylsulfanyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-phenylsulfanyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-phenylsulfanyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole is CC(C)C1COC(Sc2ccccc2)=N1.
What is the InChIKey of 2-phenylsulfanyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is VLNVRGXSXUHDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c1-9(2)11-8-14-12(13-11)15-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3.
What are the key properties of 2-phenylsulfanyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
2-phenylsulfanyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 221.33 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 132508764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).