4-[2-[3-[(2-methoxy-4-propylphenoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]morpholine;hydrochloride

C19H28ClN3O4 — CID 134119232

IUPAC4-[2-[3-[(2-methoxy-4-propylphenoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]morpholine;hydrochloride
SMILESCCCc1ccc(OCc2noc(CCN3CCOCC3)n2)c(OC)c1.Cl
InChIInChI=1S/C19H27N3O4.ClH/c1-3-4-15-5-6-16(17(13-15)23-2)25-14-18-20-19(26-21-18)7-8-22-9-11-24-12-10-22;/h5-6,13H,3-4,7-12,14H2,1-2H3;1H
InChIKeyKHYKRFZGBGBJQM-UHFFFAOYSA-N
MW397.90 g/mol
LogP2.91
Rot. Bonds9

About 4-[2-[3-[(2-methoxy-4-propylphenoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]morpholine;hydrochloride

4-[2-[3-[(2-methoxy-4-propylphenoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]morpholine;hydrochloride (PubChem CID 134119232) has the molecular formula C19H28ClN3O4 and a molecular weight of 397.90 g/mol. Its IUPAC name is 4-[2-[3-[(2-methoxy-4-propylphenoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[2-[3-[(2-methoxy-4-propylphenoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]morpholine;hydrochloride
PubChem CID134119232
Molecular FormulaC19H28ClN3O4
Molecular Weight397.90 g/mol
Exact Mass397.18
IUPAC Name4-[2-[3-[(2-methoxy-4-propylphenoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]morpholine;hydrochloride
SMILESCCCc1ccc(OCc2noc(CCN3CCOCC3)n2)c(OC)c1.Cl
InChIInChI=1S/C19H27N3O4.ClH/c1-3-4-15-5-6-16(17(13-15)23-2)25-14-18-20-19(26-21-18)7-8-22-9-11-24-12-10-22;/h5-6,13H,3-4,7-12,14H2,1-2H3;1H
InChIKeyKHYKRFZGBGBJQM-UHFFFAOYSA-N
XLogP2.91
TPSA69.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.90
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[2-[3-[(2-methoxy-4-propylphenoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]morpholine;hydrochloride with MolForge

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Related Compounds

4-[4-(2-methoxy-4-propylphenoxy)butyl]morpholine;hydrochloride
CID 2993564
4-[3-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]propyl]morpholine
CID 170870151
4-[3-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine
CID 170870238
4-[3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]propyl]morpholine
CID 170870265
4-methoxy-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzoic acid
CID 61495281
4-[3-[4-(3-chloropropoxy)-3-methoxyphenyl]propyl]morpholine
CID 170869317
2-methoxy-4-(2-morpholin-4-ylethyl)aniline
CID 57416115
N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 17294256
4-[3-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]propyl]morpholine
CID 170869301
1-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-methoxyphenyl]-N-methylmethanamine
CID 60881866
[3-chloro-5-methoxy-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanol
CID 61495475
2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]ethanamine
CID 22687397

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[(2-methoxy-4-propylphenoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]morpholine;hydrochloride?
The IUPAC name of 4-[2-[3-[(2-methoxy-4-propylphenoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]morpholine;hydrochloride (CID 134119232) is 4-[2-[3-[(2-methoxy-4-propylphenoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[2-[3-[(2-methoxy-4-propylphenoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]morpholine;hydrochloride?
The canonical SMILES for 4-[2-[3-[(2-methoxy-4-propylphenoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]morpholine;hydrochloride is CCCc1ccc(OCc2noc(CCN3CCOCC3)n2)c(OC)c1.Cl.
What is the InChIKey of 4-[2-[3-[(2-methoxy-4-propylphenoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]morpholine;hydrochloride?
The InChIKey is KHYKRFZGBGBJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4.ClH/c1-3-4-15-5-6-16(17(13-15)23-2)25-14-18-20-19(26-21-18)7-8-22-9-11-24-12-10-22;/h5-6,13H,3-4,7-12,14H2,1-2H3;1H.
What are the key properties of 4-[2-[3-[(2-methoxy-4-propylphenoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]morpholine;hydrochloride?
4-[2-[3-[(2-methoxy-4-propylphenoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]morpholine;hydrochloride has a molecular weight of 397.90 g/mol, XLogP of 2.91, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-[(2-methoxy-4-propylphenoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]morpholine;hydrochloride is sourced from PubChem (CID 134119232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).