[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 5-fluoro-1-benzothiophene-2-carboxylate

C17H10FNO4S — CID 8539435

IUPAC[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 5-fluoro-1-benzothiophene-2-carboxylate
SMILESO=C(OCc1cc(-c2ccco2)on1)c1cc2cc(F)ccc2s1
InChIInChI=1S/C17H10FNO4S/c18-11-3-4-15-10(6-11)7-16(24-15)17(20)22-9-12-8-14(23-19-12)13-2-1-5-21-13/h1-8H,9H2
InChIKeyIKQRVPGMTSDUNC-UHFFFAOYSA-N
MW343.34 g/mol
LogP4.65
Rot. Bonds4

About [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 5-fluoro-1-benzothiophene-2-carboxylate

[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 5-fluoro-1-benzothiophene-2-carboxylate (PubChem CID 8539435) has the molecular formula C17H10FNO4S and a molecular weight of 343.34 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 5-fluoro-1-benzothiophene-2-carboxylate.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 5-fluoro-1-benzothiophene-2-carboxylate
PubChem CID8539435
Molecular FormulaC17H10FNO4S
Molecular Weight343.34 g/mol
Exact Mass343.03
IUPAC Name[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 5-fluoro-1-benzothiophene-2-carboxylate
SMILESO=C(OCc1cc(-c2ccco2)on1)c1cc2cc(F)ccc2s1
InChIInChI=1S/C17H10FNO4S/c18-11-3-4-15-10(6-11)7-16(24-15)17(20)22-9-12-8-14(23-19-12)13-2-1-5-21-13/h1-8H,9H2
InChIKeyIKQRVPGMTSDUNC-UHFFFAOYSA-N
XLogP4.65
TPSA65.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 4-benzoylbenzoate
CID 8808452
ethyl 5-fluoro-1-benzothiophene-2-carboxylate
CID 23261724
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 8631782
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2H-chromene-3-carboxylate
CID 8749200
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-chlorophenyl)acetate
CID 40752868
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-[(2-phenylacetyl)amino]benzoate
CID 8809666
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 8561749
[5-(furan-2-yl)-1,2-oxazol-3-yl]methanamine
CID 7060533
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-pyridin-4-ylquinoline-4-carboxylate
CID 154799956
[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate
CID 71898605
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-methoxy-5-methylphenyl)acetate
CID 8543519
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 1-benzothiophene-2-carboxylate
CID 7490315

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 5-fluoro-1-benzothiophene-2-carboxylate?
The IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 5-fluoro-1-benzothiophene-2-carboxylate (CID 8539435) is [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 5-fluoro-1-benzothiophene-2-carboxylate.
What is the SMILES notation for [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 5-fluoro-1-benzothiophene-2-carboxylate?
The canonical SMILES for [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 5-fluoro-1-benzothiophene-2-carboxylate is O=C(OCc1cc(-c2ccco2)on1)c1cc2cc(F)ccc2s1.
What is the InChIKey of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 5-fluoro-1-benzothiophene-2-carboxylate?
The InChIKey is IKQRVPGMTSDUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FNO4S/c18-11-3-4-15-10(6-11)7-16(24-15)17(20)22-9-12-8-14(23-19-12)13-2-1-5-21-13/h1-8H,9H2.
What are the key properties of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 5-fluoro-1-benzothiophene-2-carboxylate?
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 5-fluoro-1-benzothiophene-2-carboxylate has a molecular weight of 343.34 g/mol, XLogP of 4.65, 4 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 5-fluoro-1-benzothiophene-2-carboxylate is sourced from PubChem (CID 8539435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).