(3,5-dimethylfuran-2-yl)-[(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone

C18H20FNO3 — CID 42115591

IUPAC(3,5-dimethylfuran-2-yl)-[(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone
SMILESCc1cc(C)c(C(=O)N2CCO[C@@H](Cc3ccc(F)cc3)C2)o1
InChIInChI=1S/C18H20FNO3/c1-12-9-13(2)23-17(12)18(21)20-7-8-22-16(11-20)10-14-3-5-15(19)6-4-14/h3-6,9,16H,7-8,10-11H2,1-2H3/t16-/m0/s1
InChIKeyAMONUQCKDSGTBP-INIZCTEOSA-N
MW317.36 g/mol
LogP3.12
Rot. Bonds3

About (3,5-dimethylfuran-2-yl)-[(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone

(3,5-dimethylfuran-2-yl)-[(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone (PubChem CID 42115591) has the molecular formula C18H20FNO3 and a molecular weight of 317.36 g/mol. Its IUPAC name is (3,5-dimethylfuran-2-yl)-[(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethylfuran-2-yl)-[(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone
PubChem CID42115591
Molecular FormulaC18H20FNO3
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC Name(3,5-dimethylfuran-2-yl)-[(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone
SMILESCc1cc(C)c(C(=O)N2CCO[C@@H](Cc3ccc(F)cc3)C2)o1
InChIInChI=1S/C18H20FNO3/c1-12-9-13(2)23-17(12)18(21)20-7-8-22-16(11-20)10-14-3-5-15(19)6-4-14/h3-6,9,16H,7-8,10-11H2,1-2H3/t16-/m0/s1
InChIKeyAMONUQCKDSGTBP-INIZCTEOSA-N
XLogP3.12
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethylfuran-2-yl)-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone
CID 45169829
1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]ethanone
CID 102604185
[(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 25313075
[(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(1-methylcyclopropyl)methanone
CID 95126263
[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(3,5-dimethylfuran-2-yl)methanone
CID 128995566
[1-[2-[(4-fluorophenyl)methyl]morpholine-4-carbonyl]-5-methoxy-2-methylindol-3-yl]-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone
CID 71733114
(4-fluorophenyl)-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone
CID 124942356
3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]propan-1-one
CID 45209998
1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one
CID 45174765
[5-[(dimethylamino)methyl]furan-2-yl]-[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]methanone
CID 25451208
1-[2-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one
CID 45215299
[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone
CID 124977955

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylfuran-2-yl)-[(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone?
The IUPAC name of (3,5-dimethylfuran-2-yl)-[(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone (CID 42115591) is (3,5-dimethylfuran-2-yl)-[(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone.
What is the SMILES notation for (3,5-dimethylfuran-2-yl)-[(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone?
The canonical SMILES for (3,5-dimethylfuran-2-yl)-[(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone is Cc1cc(C)c(C(=O)N2CCO[C@@H](Cc3ccc(F)cc3)C2)o1.
What is the InChIKey of (3,5-dimethylfuran-2-yl)-[(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone?
The InChIKey is AMONUQCKDSGTBP-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20FNO3/c1-12-9-13(2)23-17(12)18(21)20-7-8-22-16(11-20)10-14-3-5-15(19)6-4-14/h3-6,9,16H,7-8,10-11H2,1-2H3/t16-/m0/s1.
What are the key properties of (3,5-dimethylfuran-2-yl)-[(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone?
(3,5-dimethylfuran-2-yl)-[(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone has a molecular weight of 317.36 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylfuran-2-yl)-[(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone is sourced from PubChem (CID 42115591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).