4-methyl-2-phenyl-5-phenylsulfanyl-4,5-dihydro-1,3-oxazole

C16H15NOS — CID 12966588

IUPAC4-methyl-2-phenyl-5-phenylsulfanyl-4,5-dihydro-1,3-oxazole
SMILESCC1N=C(c2ccccc2)OC1Sc1ccccc1
InChIInChI=1S/C16H15NOS/c1-12-16(19-14-10-6-3-7-11-14)18-15(17-12)13-8-4-2-5-9-13/h2-12,16H,1H3
InChIKeyXKCUHQDVPCCHJM-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.97
Rot. Bonds3

About 4-methyl-2-phenyl-5-phenylsulfanyl-4,5-dihydro-1,3-oxazole

4-methyl-2-phenyl-5-phenylsulfanyl-4,5-dihydro-1,3-oxazole (PubChem CID 12966588) has the molecular formula C16H15NOS and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-methyl-2-phenyl-5-phenylsulfanyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-methyl-2-phenyl-5-phenylsulfanyl-4,5-dihydro-1,3-oxazole
PubChem CID12966588
Molecular FormulaC16H15NOS
Molecular Weight269.37 g/mol
Exact Mass269.09
IUPAC Name4-methyl-2-phenyl-5-phenylsulfanyl-4,5-dihydro-1,3-oxazole
SMILESCC1N=C(c2ccccc2)OC1Sc1ccccc1
InChIInChI=1S/C16H15NOS/c1-12-16(19-14-10-6-3-7-11-14)18-15(17-12)13-8-4-2-5-9-13/h2-12,16H,1H3
InChIKeyXKCUHQDVPCCHJM-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-benzyl-2-(thiophen-3-yl)-4,5-dihydro-1,3-oxazole
CID 6539915
(4R)-4-benzyl-2-(thiophen-3-yl)-4,5-dihydro-1,3-oxazole
CID 6539918
4-Phenyl-2-thien-2-yl-4,5-dihydro-1,3-oxazole
CID 3242466
benzyl (4R)-2-phenyl-4,5-dihydrothiazole-4-carboxylate
CID 71452936
4-Benzyl-2-(2-thienyl)-4,5-dihydro-1,3-oxazole
CID 382426
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
(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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-5-phenylsulfanyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-methyl-2-phenyl-5-phenylsulfanyl-4,5-dihydro-1,3-oxazole (CID 12966588) is 4-methyl-2-phenyl-5-phenylsulfanyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-methyl-2-phenyl-5-phenylsulfanyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-methyl-2-phenyl-5-phenylsulfanyl-4,5-dihydro-1,3-oxazole is CC1N=C(c2ccccc2)OC1Sc1ccccc1.
What is the InChIKey of 4-methyl-2-phenyl-5-phenylsulfanyl-4,5-dihydro-1,3-oxazole?
The InChIKey is XKCUHQDVPCCHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NOS/c1-12-16(19-14-10-6-3-7-11-14)18-15(17-12)13-8-4-2-5-9-13/h2-12,16H,1H3.
What are the key properties of 4-methyl-2-phenyl-5-phenylsulfanyl-4,5-dihydro-1,3-oxazole?
4-methyl-2-phenyl-5-phenylsulfanyl-4,5-dihydro-1,3-oxazole has a molecular weight of 269.37 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-5-phenylsulfanyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 12966588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).