4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]phenol

C14H11NO3S — CID 47298267

IUPAC4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]phenol
SMILESOc1ccc(SCc2cc(-c3ccco3)on2)cc1
InChIInChI=1S/C14H11NO3S/c16-11-3-5-12(6-4-11)19-9-10-8-14(18-15-10)13-2-1-7-17-13/h1-8,16H,9H2
InChIKeyQFTWBYLMTFCKCJ-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.93
Rot. Bonds4

About 4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]phenol

4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]phenol (PubChem CID 47298267) has the molecular formula C14H11NO3S and a molecular weight of 273.31 g/mol. Its IUPAC name is 4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]phenol.

Molecular Properties

Compound Name4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]phenol
PubChem CID47298267
Molecular FormulaC14H11NO3S
Molecular Weight273.31 g/mol
Exact Mass273.05
IUPAC Name4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]phenol
SMILESOc1ccc(SCc2cc(-c3ccco3)on2)cc1
InChIInChI=1S/C14H11NO3S/c16-11-3-5-12(6-4-11)19-9-10-8-14(18-15-10)13-2-1-7-17-13/h1-8,16H,9H2
InChIKeyQFTWBYLMTFCKCJ-UHFFFAOYSA-N
XLogP3.93
TPSA59.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]phenol?
The IUPAC name of 4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]phenol (CID 47298267) is 4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]phenol.
What is the SMILES notation for 4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]phenol?
The canonical SMILES for 4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]phenol is Oc1ccc(SCc2cc(-c3ccco3)on2)cc1.
What is the InChIKey of 4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]phenol?
The InChIKey is QFTWBYLMTFCKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3S/c16-11-3-5-12(6-4-11)19-9-10-8-14(18-15-10)13-2-1-7-17-13/h1-8,16H,9H2.
What are the key properties of 4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]phenol?
4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]phenol has a molecular weight of 273.31 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]phenol is sourced from PubChem (CID 47298267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).