[(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] furan-2-carboxylate

C18H18FNO5 — CID 1470209

IUPAC[(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] furan-2-carboxylate
SMILESO=C(O[C@H](C(=O)NC[C@H]1CCCO1)c1ccc(F)cc1)c1ccco1
InChIInChI=1S/C18H18FNO5/c19-13-7-5-12(6-8-13)16(25-18(22)15-4-2-10-24-15)17(21)20-11-14-3-1-9-23-14/h2,4-8,10,14,16H,1,3,9,11H2,(H,20,21)/t14-,16+/m1/s1
InChIKeyZSDLMFKBVPKZGX-ZBFHGGJFSA-N
MW347.34 g/mol
LogP2.61
Rot. Bonds6

About [(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] furan-2-carboxylate

[(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] furan-2-carboxylate (PubChem CID 1470209) has the molecular formula C18H18FNO5 and a molecular weight of 347.34 g/mol. Its IUPAC name is [(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] furan-2-carboxylate.

Molecular Properties

Compound Name[(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] furan-2-carboxylate
PubChem CID1470209
Molecular FormulaC18H18FNO5
Molecular Weight347.34 g/mol
Exact Mass347.12
IUPAC Name[(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] furan-2-carboxylate
SMILESO=C(O[C@H](C(=O)NC[C@H]1CCCO1)c1ccc(F)cc1)c1ccco1
InChIInChI=1S/C18H18FNO5/c19-13-7-5-12(6-8-13)16(25-18(22)15-4-2-10-24-15)17(21)20-11-14-3-1-9-23-14/h2,4-8,10,14,16H,1,3,9,11H2,(H,20,21)/t14-,16+/m1/s1
InChIKeyZSDLMFKBVPKZGX-ZBFHGGJFSA-N
XLogP2.61
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] furan-2-carboxylate with MolForge

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Related Compounds

[(1R)-1-(4-fluorophenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] thiophene-2-carboxylate
CID 1470258
[(2R)-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl] furan-2-carboxylate
CID 1470028
[(1S)-2-[(4-fluorophenyl)methylamino]-2-oxo-1-phenylethyl] furan-2-carboxylate
CID 51508279
[(1R)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate
CID 1470080
N-[(2R)-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]propan-2-yl]furan-2-carboxamide
CID 34747152
[1-(4-fluorophenyl)-2-oxo-2-(thiophen-2-ylmethylamino)ethyl] furan-2-carboxylate
CID 648857
[(1S)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]-1-phenylethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate
CID 51687842
[(1R)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate
CID 51687841
[(1S)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate
CID 51687840
[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] 4-(oxolan-2-ylmethoxy)benzoate
CID 16599980
oxolan-2-ylmethyl furan-2-carboxylate
CID 551325
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] furan-2-carboxylate?
The IUPAC name of [(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] furan-2-carboxylate (CID 1470209) is [(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] furan-2-carboxylate.
What is the SMILES notation for [(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] furan-2-carboxylate?
The canonical SMILES for [(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] furan-2-carboxylate is O=C(O[C@H](C(=O)NC[C@H]1CCCO1)c1ccc(F)cc1)c1ccco1.
What is the InChIKey of [(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] furan-2-carboxylate?
The InChIKey is ZSDLMFKBVPKZGX-ZBFHGGJFSA-N. The full InChI is InChI=1S/C18H18FNO5/c19-13-7-5-12(6-8-13)16(25-18(22)15-4-2-10-24-15)17(21)20-11-14-3-1-9-23-14/h2,4-8,10,14,16H,1,3,9,11H2,(H,20,21)/t14-,16+/m1/s1.
What are the key properties of [(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] furan-2-carboxylate?
[(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] furan-2-carboxylate has a molecular weight of 347.34 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] furan-2-carboxylate is sourced from PubChem (CID 1470209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).