[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate

C19H20FNO6 — CID 31836704

IUPAC[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate
SMILESC[C@H](OC(=O)c1ccc(COc2ccc(F)cc2)o1)C(=O)N1CCOCC1
InChIInChI=1S/C19H20FNO6/c1-13(18(22)21-8-10-24-11-9-21)26-19(23)17-7-6-16(27-17)12-25-15-4-2-14(20)3-5-15/h2-7,13H,8-12H2,1H3/t13-/m0/s1
InChIKeyRYDFQRVVFDGJJG-ZDUSSCGKSA-N
MW377.37 g/mol
LogP2.40
Rot. Bonds6

About [(2S)-1-morpholin-4-yl-1-oxopropan-2-yl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate

[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate (PubChem CID 31836704) has the molecular formula C19H20FNO6 and a molecular weight of 377.37 g/mol. Its IUPAC name is [(2S)-1-morpholin-4-yl-1-oxopropan-2-yl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate.

Molecular Properties

Compound Name[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate
PubChem CID31836704
Molecular FormulaC19H20FNO6
Molecular Weight377.37 g/mol
Exact Mass377.13
IUPAC Name[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate
SMILESC[C@H](OC(=O)c1ccc(COc2ccc(F)cc2)o1)C(=O)N1CCOCC1
InChIInChI=1S/C19H20FNO6/c1-13(18(22)21-8-10-24-11-9-21)26-19(23)17-7-6-16(27-17)12-25-15-4-2-14(20)3-5-15/h2-7,13H,8-12H2,1H3/t13-/m0/s1
InChIKeyRYDFQRVVFDGJJG-ZDUSSCGKSA-N
XLogP2.40
TPSA78.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2S)-1-morpholin-4-yl-1-oxopropan-2-yl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate with MolForge

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Related Compounds

[1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate
CID 55419449
[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate
CID 46814083
N-(3-ethyl-2-morpholin-4-ylpentyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 46529402
(1-morpholin-4-yl-1-oxopropan-2-yl) 2-(4-phenylmethoxyphenoxy)acetate
CID 55317024
[4-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 38029210
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate
CID 46789661
[3-(1-aminoethyl)piperidin-1-yl]-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone
CID 119592675
5-[(4-fluorophenoxy)methyl]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]furan-2-carboxamide
CID 43006651
[5-[(4-fluorophenoxy)methyl]furan-2-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 55334172
2-(4-fluorophenoxy)-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide
CID 94822842
[5-[(4-fluorophenoxy)methyl]furan-2-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 134044391
(1-morpholin-4-yl-1-oxopropan-2-yl) 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate
CID 42893729

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-morpholin-4-yl-1-oxopropan-2-yl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate?
The IUPAC name of [(2S)-1-morpholin-4-yl-1-oxopropan-2-yl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate (CID 31836704) is [(2S)-1-morpholin-4-yl-1-oxopropan-2-yl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate.
What is the SMILES notation for [(2S)-1-morpholin-4-yl-1-oxopropan-2-yl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate?
The canonical SMILES for [(2S)-1-morpholin-4-yl-1-oxopropan-2-yl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate is C[C@H](OC(=O)c1ccc(COc2ccc(F)cc2)o1)C(=O)N1CCOCC1.
What is the InChIKey of [(2S)-1-morpholin-4-yl-1-oxopropan-2-yl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate?
The InChIKey is RYDFQRVVFDGJJG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20FNO6/c1-13(18(22)21-8-10-24-11-9-21)26-19(23)17-7-6-16(27-17)12-25-15-4-2-14(20)3-5-15/h2-7,13H,8-12H2,1H3/t13-/m0/s1.
What are the key properties of [(2S)-1-morpholin-4-yl-1-oxopropan-2-yl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate?
[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate has a molecular weight of 377.37 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-morpholin-4-yl-1-oxopropan-2-yl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate is sourced from PubChem (CID 31836704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).