3-(benzylsulfanylmethyl)-5-(furan-2-yl)-1,2-oxazole

C15H13NO2S — CID 112808354

IUPAC3-(benzylsulfanylmethyl)-5-(furan-2-yl)-1,2-oxazole
SMILESc1ccc(CSCc2cc(-c3ccco3)on2)cc1
InChIInChI=1S/C15H13NO2S/c1-2-5-12(6-3-1)10-19-11-13-9-15(18-16-13)14-7-4-8-17-14/h1-9H,10-11H2
InChIKeyCGKJTYHZYGRUML-UHFFFAOYSA-N
MW271.34 g/mol
LogP4.37
Rot. Bonds5

About 3-(benzylsulfanylmethyl)-5-(furan-2-yl)-1,2-oxazole

3-(benzylsulfanylmethyl)-5-(furan-2-yl)-1,2-oxazole (PubChem CID 112808354) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is 3-(benzylsulfanylmethyl)-5-(furan-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-(benzylsulfanylmethyl)-5-(furan-2-yl)-1,2-oxazole
PubChem CID112808354
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Name3-(benzylsulfanylmethyl)-5-(furan-2-yl)-1,2-oxazole
SMILESc1ccc(CSCc2cc(-c3ccco3)on2)cc1
InChIInChI=1S/C15H13NO2S/c1-2-5-12(6-3-1)10-19-11-13-9-15(18-16-13)14-7-4-8-17-14/h1-9H,10-11H2
InChIKeyCGKJTYHZYGRUML-UHFFFAOYSA-N
XLogP4.37
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-2-methylpropanoic acid
CID 81230209
[5-(furan-2-yl)-1,2-oxazol-3-yl]methanamine
CID 7060533
[5-(furan-2-yl)-1,2-oxazol-3-yl]methanamine;hydrochloride
CID 53398902
4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]phenol
CID 47298267
2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]propanoic acid
CID 43241616
1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-methylmethanamine
CID 7537518
[5-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102630282
4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-2-methylaniline
CID 79148078
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 78925092
3-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-5-(furan-2-yl)-1,2-oxazole
CID 18098780
2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-3-(2-methylphenyl)quinazolin-4-one
CID 9491337
3-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-5-(furan-2-yl)-1,2-oxazole
CID 18144180

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfanylmethyl)-5-(furan-2-yl)-1,2-oxazole?
The IUPAC name of 3-(benzylsulfanylmethyl)-5-(furan-2-yl)-1,2-oxazole (CID 112808354) is 3-(benzylsulfanylmethyl)-5-(furan-2-yl)-1,2-oxazole.
What is the SMILES notation for 3-(benzylsulfanylmethyl)-5-(furan-2-yl)-1,2-oxazole?
The canonical SMILES for 3-(benzylsulfanylmethyl)-5-(furan-2-yl)-1,2-oxazole is c1ccc(CSCc2cc(-c3ccco3)on2)cc1.
What is the InChIKey of 3-(benzylsulfanylmethyl)-5-(furan-2-yl)-1,2-oxazole?
The InChIKey is CGKJTYHZYGRUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c1-2-5-12(6-3-1)10-19-11-13-9-15(18-16-13)14-7-4-8-17-14/h1-9H,10-11H2.
What are the key properties of 3-(benzylsulfanylmethyl)-5-(furan-2-yl)-1,2-oxazole?
3-(benzylsulfanylmethyl)-5-(furan-2-yl)-1,2-oxazole has a molecular weight of 271.34 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfanylmethyl)-5-(furan-2-yl)-1,2-oxazole is sourced from PubChem (CID 112808354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).