5-[(4-fluorophenyl)sulfanylmethyl]-2-phenyl-4,5-dihydro-1,3-oxazole

C16H14FNOS — CID 102134858

IUPAC5-[(4-fluorophenyl)sulfanylmethyl]-2-phenyl-4,5-dihydro-1,3-oxazole
SMILESFc1ccc(SCC2CN=C(c3ccccc3)O2)cc1
InChIInChI=1S/C16H14FNOS/c17-13-6-8-15(9-7-13)20-11-14-10-18-16(19-14)12-4-2-1-3-5-12/h1-9,14H,10-11H2
InChIKeyDHEQGQYSPLEWRB-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.76
Rot. Bonds4

About 5-[(4-fluorophenyl)sulfanylmethyl]-2-phenyl-4,5-dihydro-1,3-oxazole

5-[(4-fluorophenyl)sulfanylmethyl]-2-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 102134858) has the molecular formula C16H14FNOS and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)sulfanylmethyl]-2-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name5-[(4-fluorophenyl)sulfanylmethyl]-2-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID102134858
Molecular FormulaC16H14FNOS
Molecular Weight287.36 g/mol
Exact Mass287.08
IUPAC Name5-[(4-fluorophenyl)sulfanylmethyl]-2-phenyl-4,5-dihydro-1,3-oxazole
SMILESFc1ccc(SCC2CN=C(c3ccccc3)O2)cc1
InChIInChI=1S/C16H14FNOS/c17-13-6-8-15(9-7-13)20-11-14-10-18-16(19-14)12-4-2-1-3-5-12/h1-9,14H,10-11H2
InChIKeyDHEQGQYSPLEWRB-UHFFFAOYSA-N
XLogP3.76
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-Difluorophenyl)-4-(4-nonylsulfanylphenyl)-4,5-dihydro-1,3-oxazole
CID 15007824
2-(2-Ethylsulfanylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 14853176
(4S,5S)-2-(4-Bromo-phenyl)-4-phenylsulfanyl-5-vinyl-4,5-dihydro-oxazole
CID 44394671
(4S,5S)-2-(4-Chloro-phenyl)-4-phenylsulfanyl-5-vinyl-4,5-dihydro-oxazole
CID 44394702
(4S,5S)-2-Biphenyl-4-yl-4-phenylsulfanyl-5-vinyl-4,5-dihydro-oxazole
CID 44394765
(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-(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)-4-tert-butyl-2-[4-fluoro-2-(4-methylphenyl)sulfinylphenyl]-4,5-dihydro-1,3-oxazole
CID 102365272
(4S)-4-tert-butyl-2-[4-fluoro-2-[(S)-(4-methylphenyl)sulfinyl]phenyl]-4,5-dihydro-1,3-oxazole
CID 166448388
2-Phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]oxazole
CID 3293657

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)sulfanylmethyl]-2-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 5-[(4-fluorophenyl)sulfanylmethyl]-2-phenyl-4,5-dihydro-1,3-oxazole (CID 102134858) is 5-[(4-fluorophenyl)sulfanylmethyl]-2-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 5-[(4-fluorophenyl)sulfanylmethyl]-2-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 5-[(4-fluorophenyl)sulfanylmethyl]-2-phenyl-4,5-dihydro-1,3-oxazole is Fc1ccc(SCC2CN=C(c3ccccc3)O2)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)sulfanylmethyl]-2-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is DHEQGQYSPLEWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNOS/c17-13-6-8-15(9-7-13)20-11-14-10-18-16(19-14)12-4-2-1-3-5-12/h1-9,14H,10-11H2.
What are the key properties of 5-[(4-fluorophenyl)sulfanylmethyl]-2-phenyl-4,5-dihydro-1,3-oxazole?
5-[(4-fluorophenyl)sulfanylmethyl]-2-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 287.36 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)sulfanylmethyl]-2-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 102134858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).