[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-ethylsulfanylbenzoate

C17H15NO4S — CID 30608460

IUPAC[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-ethylsulfanylbenzoate
SMILESCCSc1ccccc1C(=O)OCc1cc(-c2ccco2)on1
InChIInChI=1S/C17H15NO4S/c1-2-23-16-8-4-3-6-13(16)17(19)21-11-12-10-15(22-18-12)14-7-5-9-20-14/h3-10H,2,11H2,1H3
InChIKeyMBTMWCKTNVXZJR-UHFFFAOYSA-N
MW329.38 g/mol
LogP4.40
Rot. Bonds6

About [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-ethylsulfanylbenzoate

[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-ethylsulfanylbenzoate (PubChem CID 30608460) has the molecular formula C17H15NO4S and a molecular weight of 329.38 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-ethylsulfanylbenzoate.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-ethylsulfanylbenzoate
PubChem CID30608460
Molecular FormulaC17H15NO4S
Molecular Weight329.38 g/mol
Exact Mass329.07
IUPAC Name[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-ethylsulfanylbenzoate
SMILESCCSc1ccccc1C(=O)OCc1cc(-c2ccco2)on1
InChIInChI=1S/C17H15NO4S/c1-2-23-16-8-4-3-6-13(16)17(19)21-11-12-10-15(22-18-12)14-7-5-9-20-14/h3-10H,2,11H2,1H3
InChIKeyMBTMWCKTNVXZJR-UHFFFAOYSA-N
XLogP4.40
TPSA65.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-ethylsulfanylbenzoate?
The IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-ethylsulfanylbenzoate (CID 30608460) is [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-ethylsulfanylbenzoate.
What is the SMILES notation for [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-ethylsulfanylbenzoate?
The canonical SMILES for [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-ethylsulfanylbenzoate is CCSc1ccccc1C(=O)OCc1cc(-c2ccco2)on1.
What is the InChIKey of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-ethylsulfanylbenzoate?
The InChIKey is MBTMWCKTNVXZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4S/c1-2-23-16-8-4-3-6-13(16)17(19)21-11-12-10-15(22-18-12)14-7-5-9-20-14/h3-10H,2,11H2,1H3.
What are the key properties of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-ethylsulfanylbenzoate?
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-ethylsulfanylbenzoate has a molecular weight of 329.38 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-ethylsulfanylbenzoate is sourced from PubChem (CID 30608460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).