3-phenylmethoxy-4-phenylsulfanyl-1,2-oxazole

C16H13NO2S — CID 143364999

IUPAC3-phenylmethoxy-4-phenylsulfanyl-1,2-oxazole
SMILESc1ccc(COc2nocc2Sc2ccccc2)cc1
InChIInChI=1S/C16H13NO2S/c1-3-7-13(8-4-1)11-18-16-15(12-19-17-16)20-14-9-5-2-6-10-14/h1-10,12H,11H2
InChIKeyLDRBIJLDCNRHTL-UHFFFAOYSA-N
MW283.35 g/mol
LogP4.40
Rot. Bonds5

About 3-phenylmethoxy-4-phenylsulfanyl-1,2-oxazole

3-phenylmethoxy-4-phenylsulfanyl-1,2-oxazole (PubChem CID 143364999) has the molecular formula C16H13NO2S and a molecular weight of 283.35 g/mol. Its IUPAC name is 3-phenylmethoxy-4-phenylsulfanyl-1,2-oxazole.

Molecular Properties

Compound Name3-phenylmethoxy-4-phenylsulfanyl-1,2-oxazole
PubChem CID143364999
Molecular FormulaC16H13NO2S
Molecular Weight283.35 g/mol
Exact Mass283.07
IUPAC Name3-phenylmethoxy-4-phenylsulfanyl-1,2-oxazole
SMILESc1ccc(COc2nocc2Sc2ccccc2)cc1
InChIInChI=1S/C16H13NO2S/c1-3-7-13(8-4-1)11-18-16-15(12-19-17-16)20-14-9-5-2-6-10-14/h1-10,12H,11H2
InChIKeyLDRBIJLDCNRHTL-UHFFFAOYSA-N
XLogP4.40
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[(4-phenylsulfanylphenyl)methoxy]phenyl]-1,2-oxazol-4-amine
CID 144638030
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3-tert-butyl-2-phenylmethoxypyridine
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3,6-bis(phenylmethoxy)pyridazine
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1-(methoxymethyl)-4-phenylsulfanylbenzene
CID 174608576
2-methyl-4-phenylmethoxythieno[2,3-d]pyrimidine
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2-bromo-5-chloro-3-phenylmethoxypyrazine
CID 121218855
3-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylbenzamide
CID 118515033
1-[4-(3-phenylmethoxyphenyl)sulfanylphenyl]ethanone
CID 58014066
2-[4-(3-phenylmethoxyphenyl)sulfanylphenyl]acetyl chloride
CID 87260314
[5-(2-methylpropyl)-6-phenylmethoxy-3-propan-2-ylpyrazin-2-yl]methanol
CID 150196401
7-chloro-5-(4-fluorophenyl)sulfanyl-8-phenylmethoxyquinoline
CID 122440024

Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxy-4-phenylsulfanyl-1,2-oxazole?
The IUPAC name of 3-phenylmethoxy-4-phenylsulfanyl-1,2-oxazole (CID 143364999) is 3-phenylmethoxy-4-phenylsulfanyl-1,2-oxazole.
What is the SMILES notation for 3-phenylmethoxy-4-phenylsulfanyl-1,2-oxazole?
The canonical SMILES for 3-phenylmethoxy-4-phenylsulfanyl-1,2-oxazole is c1ccc(COc2nocc2Sc2ccccc2)cc1.
What is the InChIKey of 3-phenylmethoxy-4-phenylsulfanyl-1,2-oxazole?
The InChIKey is LDRBIJLDCNRHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2S/c1-3-7-13(8-4-1)11-18-16-15(12-19-17-16)20-14-9-5-2-6-10-14/h1-10,12H,11H2.
What are the key properties of 3-phenylmethoxy-4-phenylsulfanyl-1,2-oxazole?
3-phenylmethoxy-4-phenylsulfanyl-1,2-oxazole has a molecular weight of 283.35 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxy-4-phenylsulfanyl-1,2-oxazole is sourced from PubChem (CID 143364999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).