[5-[[2-[(5-chloro-2-pyridinyl)oxymethyl]morpholin-4-yl]methyl]furan-2-yl]methyl acetate

C18H21ClN2O5 — CID 3742288

IUPAC[5-[[2-[(5-chloro-2-pyridinyl)oxymethyl]morpholin-4-yl]methyl]furan-2-yl]methyl acetate
SMILESCC(=O)OCc1ccc(CN2CCOC(COc3ccc(Cl)cn3)C2)o1
InChIInChI=1S/C18H21ClN2O5/c1-13(22)24-11-16-4-3-15(26-16)9-21-6-7-23-17(10-21)12-25-18-5-2-14(19)8-20-18/h2-5,8,17H,6-7,9-12H2,1H3
InChIKeyYRXPAZLWIJBNSR-UHFFFAOYSA-N
MW380.83 g/mol
LogP2.67
Rot. Bonds7

About [5-[[2-[(5-chloro-2-pyridinyl)oxymethyl]morpholin-4-yl]methyl]furan-2-yl]methyl acetate

[5-[[2-[(5-chloro-2-pyridinyl)oxymethyl]morpholin-4-yl]methyl]furan-2-yl]methyl acetate (PubChem CID 3742288) has the molecular formula C18H21ClN2O5 and a molecular weight of 380.83 g/mol. Its IUPAC name is [5-[[2-[(5-chloro-2-pyridinyl)oxymethyl]morpholin-4-yl]methyl]furan-2-yl]methyl acetate.

Molecular Properties

Compound Name[5-[[2-[(5-chloro-2-pyridinyl)oxymethyl]morpholin-4-yl]methyl]furan-2-yl]methyl acetate
PubChem CID3742288
Molecular FormulaC18H21ClN2O5
Molecular Weight380.83 g/mol
Exact Mass380.11
IUPAC Name[5-[[2-[(5-chloro-2-pyridinyl)oxymethyl]morpholin-4-yl]methyl]furan-2-yl]methyl acetate
SMILESCC(=O)OCc1ccc(CN2CCOC(COc3ccc(Cl)cn3)C2)o1
InChIInChI=1S/C18H21ClN2O5/c1-13(22)24-11-16-4-3-15(26-16)9-21-6-7-23-17(10-21)12-25-18-5-2-14(19)8-20-18/h2-5,8,17H,6-7,9-12H2,1H3
InChIKeyYRXPAZLWIJBNSR-UHFFFAOYSA-N
XLogP2.67
TPSA74.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.83
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [5-[[2-[(5-chloro-2-pyridinyl)oxymethyl]morpholin-4-yl]methyl]furan-2-yl]methyl acetate with MolForge

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Launch Full Analysis

Related Compounds

[5-[[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methyl]furan-2-yl]methyl acetate
CID 74226222
2-[(5-chloro-2-pyridinyl)oxymethyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine
CID 3742287
[5-[[2-[[2-methoxy-4-(3-oxobutyl)phenoxy]methyl]morpholin-4-yl]methyl]furan-2-yl]methyl acetate
CID 74225382
[4-[(3-amino-4-pyridinyl)methyl]morpholin-2-yl]methyl acetate
CID 89443070
1-[4-[[4-[(5-bromofuran-2-yl)methyl]morpholin-2-yl]methoxy]-2-methylphenyl]ethanone
CID 74224273
(2S)-4-[(4-chlorophenyl)methyl]-2-[(6-fluoro-2-pyridinyl)oxymethyl]morpholine
CID 127028182
N-[5-chloro-2-[3-oxo-3-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholin-4-yl]prop-1-enyl]phenyl]acetamide
CID 4996190
4-[(3-methylthiophen-2-yl)methyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholine
CID 74227912
methyl 5-[[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]methyl]furan-2-carboxylate
CID 79827347
[3-[[2-[[6-(methoxymethyl)-2-methylsulfanylpyrimidin-4-yl]oxymethyl]morpholin-4-yl]methyl]phenyl] acetate
CID 3772166
N'-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120661861
4-chloro-2-[(2-ethylmorpholin-4-yl)methyl]aniline
CID 79582785

Frequently Asked Questions

What is the IUPAC name of [5-[[2-[(5-chloro-2-pyridinyl)oxymethyl]morpholin-4-yl]methyl]furan-2-yl]methyl acetate?
The IUPAC name of [5-[[2-[(5-chloro-2-pyridinyl)oxymethyl]morpholin-4-yl]methyl]furan-2-yl]methyl acetate (CID 3742288) is [5-[[2-[(5-chloro-2-pyridinyl)oxymethyl]morpholin-4-yl]methyl]furan-2-yl]methyl acetate.
What is the SMILES notation for [5-[[2-[(5-chloro-2-pyridinyl)oxymethyl]morpholin-4-yl]methyl]furan-2-yl]methyl acetate?
The canonical SMILES for [5-[[2-[(5-chloro-2-pyridinyl)oxymethyl]morpholin-4-yl]methyl]furan-2-yl]methyl acetate is CC(=O)OCc1ccc(CN2CCOC(COc3ccc(Cl)cn3)C2)o1.
What is the InChIKey of [5-[[2-[(5-chloro-2-pyridinyl)oxymethyl]morpholin-4-yl]methyl]furan-2-yl]methyl acetate?
The InChIKey is YRXPAZLWIJBNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O5/c1-13(22)24-11-16-4-3-15(26-16)9-21-6-7-23-17(10-21)12-25-18-5-2-14(19)8-20-18/h2-5,8,17H,6-7,9-12H2,1H3.
What are the key properties of [5-[[2-[(5-chloro-2-pyridinyl)oxymethyl]morpholin-4-yl]methyl]furan-2-yl]methyl acetate?
[5-[[2-[(5-chloro-2-pyridinyl)oxymethyl]morpholin-4-yl]methyl]furan-2-yl]methyl acetate has a molecular weight of 380.83 g/mol, XLogP of 2.67, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[2-[(5-chloro-2-pyridinyl)oxymethyl]morpholin-4-yl]methyl]furan-2-yl]methyl acetate is sourced from PubChem (CID 3742288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).