4-[[5-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]furan-2-yl]methoxy]benzonitrile

C19H20N2O4 — CID 95281119

IUPAC4-[[5-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]furan-2-yl]methoxy]benzonitrile
SMILESC[C@@H]1CN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)[C@@H](C)CO1
InChIInChI=1S/C19H20N2O4/c1-13-11-23-14(2)10-21(13)19(22)18-8-7-17(25-18)12-24-16-5-3-15(9-20)4-6-16/h3-8,13-14H,10-12H2,1-2H3/t13-,14+/m0/s1
InChIKeyUZJUXEREQYLUCK-UONOGXRCSA-N
MW340.38 g/mol
LogP2.98
Rot. Bonds4

About 4-[[5-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]furan-2-yl]methoxy]benzonitrile

4-[[5-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]furan-2-yl]methoxy]benzonitrile (PubChem CID 95281119) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 4-[[5-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]furan-2-yl]methoxy]benzonitrile.

Molecular Properties

Compound Name4-[[5-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]furan-2-yl]methoxy]benzonitrile
PubChem CID95281119
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name4-[[5-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]furan-2-yl]methoxy]benzonitrile
SMILESC[C@@H]1CN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)[C@@H](C)CO1
InChIInChI=1S/C19H20N2O4/c1-13-11-23-14(2)10-21(13)19(22)18-8-7-17(25-18)12-24-16-5-3-15(9-20)4-6-16/h3-8,13-14H,10-12H2,1-2H3/t13-,14+/m0/s1
InChIKeyUZJUXEREQYLUCK-UONOGXRCSA-N
XLogP2.98
TPSA75.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[5-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]furan-2-yl]methoxy]benzonitrile
CID 86886879
5-[(4-cyanophenoxy)methyl]furan-2-carboxylate
CID 4290764
[5-[(4-bromophenoxy)methyl]furan-2-yl]-(2-methylpiperazin-1-yl)methanone
CID 119472053
4-[[5-[4-(2-hydroxy-2-phenylethyl)piperazine-1-carbonyl]furan-2-yl]methoxy]benzonitrile
CID 86905262
4-[4-[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]-1,4-diazepan-1-yl]benzonitrile
CID 55839912
5-[(4-cyanophenoxy)methyl]-N-(2-cyclopentylethyl)furan-2-carboxamide
CID 86886568
1-(2,5-dimethylmorpholin-4-yl)-2-(4-fluorophenoxy)ethanone
CID 110727667
5-[(4-cyanophenoxy)methyl]-N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]furan-2-carboxamide
CID 86886728
6-(5-ethyl-2-methylmorpholine-4-carbonyl)pyridine-3-carbonitrile
CID 63719120
N-(2-amino-2-oxoethyl)-5-[(4-cyanophenoxy)methyl]-N-(2-cyclohexylethyl)furan-2-carboxamide
CID 86886752
[(2R,5R)-2,5-dimethylmorpholin-4-yl]-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone
CID 94051513
[(2S,5S)-2,5-dimethylmorpholin-4-yl]-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone
CID 94051516

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]furan-2-yl]methoxy]benzonitrile?
The IUPAC name of 4-[[5-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]furan-2-yl]methoxy]benzonitrile (CID 95281119) is 4-[[5-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]furan-2-yl]methoxy]benzonitrile.
What is the SMILES notation for 4-[[5-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]furan-2-yl]methoxy]benzonitrile?
The canonical SMILES for 4-[[5-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]furan-2-yl]methoxy]benzonitrile is C[C@@H]1CN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)[C@@H](C)CO1.
What is the InChIKey of 4-[[5-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]furan-2-yl]methoxy]benzonitrile?
The InChIKey is UZJUXEREQYLUCK-UONOGXRCSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-13-11-23-14(2)10-21(13)19(22)18-8-7-17(25-18)12-24-16-5-3-15(9-20)4-6-16/h3-8,13-14H,10-12H2,1-2H3/t13-,14+/m0/s1.
What are the key properties of 4-[[5-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]furan-2-yl]methoxy]benzonitrile?
4-[[5-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]furan-2-yl]methoxy]benzonitrile has a molecular weight of 340.38 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]furan-2-yl]methoxy]benzonitrile is sourced from PubChem (CID 95281119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).