2-amino-N-[[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride

C16H22ClN5O3 — CID 120840366

IUPAC2-amino-N-[[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride
SMILESCl.NCC(=O)NCc1nc(-c2cccc(CN3CCOCC3)c2)no1
InChIInChI=1S/C16H21N5O3.ClH/c17-9-14(22)18-10-15-19-16(20-24-15)13-3-1-2-12(8-13)11-21-4-6-23-7-5-21;/h1-3,8H,4-7,9-11,17H2,(H,18,22);1H
InChIKeyFWMGOWXWBROZIH-UHFFFAOYSA-N
MW367.84 g/mol
LogP0.57
Rot. Bonds6

About 2-amino-N-[[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride

2-amino-N-[[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride (PubChem CID 120840366) has the molecular formula C16H22ClN5O3 and a molecular weight of 367.84 g/mol. Its IUPAC name is 2-amino-N-[[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride
PubChem CID120840366
Molecular FormulaC16H22ClN5O3
Molecular Weight367.84 g/mol
Exact Mass367.14
IUPAC Name2-amino-N-[[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride
SMILESCl.NCC(=O)NCc1nc(-c2cccc(CN3CCOCC3)c2)no1
InChIInChI=1S/C16H21N5O3.ClH/c17-9-14(22)18-10-15-19-16(20-24-15)13-3-1-2-12(8-13)11-21-4-6-23-7-5-21;/h1-3,8H,4-7,9-11,17H2,(H,18,22);1H
InChIKeyFWMGOWXWBROZIH-UHFFFAOYSA-N
XLogP0.57
TPSA106.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-amino-N-[[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride with MolForge

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Related Compounds

[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117438451
2-amino-N-[[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride
CID 120841607
6-[[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-3-amine
CID 120840361
N-[[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
CID 46296149
2-amino-N-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride
CID 120833829
4-[[3-[5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine
CID 120840369
4-[[3-[5-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine
CID 124566854
3-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 71668568
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 43933597
3-amino-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide;dihydrochloride
CID 119847390
2-(2-fluorophenyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 94136673
2-[2-[3-(morpholin-4-ylmethyl)phenyl]-1,3-thiazol-4-yl]ethanamine
CID 82135838

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride (CID 120840366) is 2-amino-N-[[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride is Cl.NCC(=O)NCc1nc(-c2cccc(CN3CCOCC3)c2)no1.
What is the InChIKey of 2-amino-N-[[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride?
The InChIKey is FWMGOWXWBROZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3.ClH/c17-9-14(22)18-10-15-19-16(20-24-15)13-3-1-2-12(8-13)11-21-4-6-23-7-5-21;/h1-3,8H,4-7,9-11,17H2,(H,18,22);1H.
What are the key properties of 2-amino-N-[[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride?
2-amino-N-[[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride has a molecular weight of 367.84 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 120840366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).