4-(methoxymethyl)-5-phenyl-2-(1-phenylsulfanylethyl)-4,5-dihydro-1,3-oxazole

C19H21NO2S — CID 586174

IUPAC4-(methoxymethyl)-5-phenyl-2-(1-phenylsulfanylethyl)-4,5-dihydro-1,3-oxazole
SMILESCOCC1N=C(C(C)Sc2ccccc2)OC1c1ccccc1
InChIInChI=1S/C19H21NO2S/c1-14(23-16-11-7-4-8-12-16)19-20-17(13-21-2)18(22-19)15-9-5-3-6-10-15/h3-12,14,17-18H,13H2,1-2H3
InChIKeyUZCZQJOYFJIKRG-UHFFFAOYSA-N
MW327.45 g/mol
LogP4.35
Rot. Bonds6

About 4-(methoxymethyl)-5-phenyl-2-(1-phenylsulfanylethyl)-4,5-dihydro-1,3-oxazole

4-(methoxymethyl)-5-phenyl-2-(1-phenylsulfanylethyl)-4,5-dihydro-1,3-oxazole (PubChem CID 586174) has the molecular formula C19H21NO2S and a molecular weight of 327.45 g/mol. Its IUPAC name is 4-(methoxymethyl)-5-phenyl-2-(1-phenylsulfanylethyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-(methoxymethyl)-5-phenyl-2-(1-phenylsulfanylethyl)-4,5-dihydro-1,3-oxazole
PubChem CID586174
Molecular FormulaC19H21NO2S
Molecular Weight327.45 g/mol
Exact Mass327.13
IUPAC Name4-(methoxymethyl)-5-phenyl-2-(1-phenylsulfanylethyl)-4,5-dihydro-1,3-oxazole
SMILESCOCC1N=C(C(C)Sc2ccccc2)OC1c1ccccc1
InChIInChI=1S/C19H21NO2S/c1-14(23-16-11-7-4-8-12-16)19-20-17(13-21-2)18(22-19)15-9-5-3-6-10-15/h3-12,14,17-18H,13H2,1-2H3
InChIKeyUZCZQJOYFJIKRG-UHFFFAOYSA-N
XLogP4.35
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-Difluorophenyl)-4-(4-nonylsulfanylphenyl)-4,5-dihydro-1,3-oxazole
CID 15007824
2-(2-Methylsulfanylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 14853174
2-(2-Ethylsulfanylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 14853176
(4R,5R)-5-phenyl-4-(p-tolylsulfonyl)-4,5-dihydrooxazole
CID 15635064
(4S,5S)-4-Phenylsulfanyl-2-p-tolyl-5-vinyl-4,5-dihydro-oxazole
CID 44394797
(4S)-4-tert-butyl-2-(2-phenylsulfanylphenyl)-4,5-dihydro-1,3-oxazole
CID 10064057
2-Ethyl-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole
CID 12755427
2-(2,6-Difluorophenyl)-4-(4-methylsulfanylphenyl)-4,5-dihydro-1,3-oxazole
CID 76308808
2-(2,6-Difluorophenyl)-4,5-dihydro-4-[4-[(1-methylethyl)thio]phenyl]oxazole
CID 76319747
(4S,5S)-2-ethyl-4-methoxymethyl-5-phenyl-2-oxazoline
CID 10932944
(4R,5S)-4-methyl-2-[2-[(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-5-phenyl-4,5-dihydro-1,3-oxazole
CID 134904827
(4S)-4-phenyl-2-[2-[(R)-propan-2-ylsulfinyl]phenyl]-4,5-dihydro-1,3-oxazole
CID 138550974

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-5-phenyl-2-(1-phenylsulfanylethyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-(methoxymethyl)-5-phenyl-2-(1-phenylsulfanylethyl)-4,5-dihydro-1,3-oxazole (CID 586174) is 4-(methoxymethyl)-5-phenyl-2-(1-phenylsulfanylethyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-(methoxymethyl)-5-phenyl-2-(1-phenylsulfanylethyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-(methoxymethyl)-5-phenyl-2-(1-phenylsulfanylethyl)-4,5-dihydro-1,3-oxazole is COCC1N=C(C(C)Sc2ccccc2)OC1c1ccccc1.
What is the InChIKey of 4-(methoxymethyl)-5-phenyl-2-(1-phenylsulfanylethyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is UZCZQJOYFJIKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2S/c1-14(23-16-11-7-4-8-12-16)19-20-17(13-21-2)18(22-19)15-9-5-3-6-10-15/h3-12,14,17-18H,13H2,1-2H3.
What are the key properties of 4-(methoxymethyl)-5-phenyl-2-(1-phenylsulfanylethyl)-4,5-dihydro-1,3-oxazole?
4-(methoxymethyl)-5-phenyl-2-(1-phenylsulfanylethyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 327.45 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-5-phenyl-2-(1-phenylsulfanylethyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 586174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).