N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-2-ylacetamide;hydrochloride

C17H22ClN3O4 — CID 154903600

IUPACN-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-2-ylacetamide;hydrochloride
SMILESCOc1cccc(-c2cc(CNC(=O)CC3CNCCO3)on2)c1.Cl
InChIInChI=1S/C17H21N3O4.ClH/c1-22-13-4-2-3-12(7-13)16-8-15(24-20-16)11-19-17(21)9-14-10-18-5-6-23-14;/h2-4,7-8,14,18H,5-6,9-11H2,1H3,(H,19,21);1H
InChIKeyXCGYTKCLKVDRAX-UHFFFAOYSA-N
MW367.83 g/mol
LogP1.77
Rot. Bonds6

About N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-2-ylacetamide;hydrochloride

N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-2-ylacetamide;hydrochloride (PubChem CID 154903600) has the molecular formula C17H22ClN3O4 and a molecular weight of 367.83 g/mol. Its IUPAC name is N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-2-ylacetamide;hydrochloride
PubChem CID154903600
Molecular FormulaC17H22ClN3O4
Molecular Weight367.83 g/mol
Exact Mass367.13
IUPAC NameN-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-2-ylacetamide;hydrochloride
SMILESCOc1cccc(-c2cc(CNC(=O)CC3CNCCO3)on2)c1.Cl
InChIInChI=1S/C17H21N3O4.ClH/c1-22-13-4-2-3-12(7-13)16-8-15(24-20-16)11-19-17(21)9-14-10-18-5-6-23-14;/h2-4,7-8,14,18H,5-6,9-11H2,1H3,(H,19,21);1H
InChIKeyXCGYTKCLKVDRAX-UHFFFAOYSA-N
XLogP1.77
TPSA85.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.83
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-[(2S)-morpholin-2-yl]acetamide
CID 125179473
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]acetamide
CID 97127802
N-[(4-methoxyphenyl)methyl]-2-morpholin-2-ylacetamide
CID 66434532
tert-butyl N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]carbamate
CID 68817763
3-(3-methoxyphenyl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 70760747
(1R,9S)-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-5-carboxamide
CID 172670481
(1S,2R,3S,4R)-3-amino-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 118769027
N-[(5-methylfuran-2-yl)methyl]-2-morpholin-2-ylacetamide
CID 66429169
N-[(2-hydroxyphenyl)methyl]-2-morpholin-2-ylacetamide
CID 114332328
6-cyclobutyl-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-4-methyl-2-oxopyran-3-carboxamide
CID 170510643
N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-[(3R)-pyrrolidin-3-yl]acetamide
CID 125173596
2-morpholin-2-yl-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 81170232

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-2-ylacetamide;hydrochloride?
The IUPAC name of N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-2-ylacetamide;hydrochloride (CID 154903600) is N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-2-ylacetamide;hydrochloride is COc1cccc(-c2cc(CNC(=O)CC3CNCCO3)on2)c1.Cl.
What is the InChIKey of N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-2-ylacetamide;hydrochloride?
The InChIKey is XCGYTKCLKVDRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4.ClH/c1-22-13-4-2-3-12(7-13)16-8-15(24-20-16)11-19-17(21)9-14-10-18-5-6-23-14;/h2-4,7-8,14,18H,5-6,9-11H2,1H3,(H,19,21);1H.
What are the key properties of N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-2-ylacetamide;hydrochloride?
N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-2-ylacetamide;hydrochloride has a molecular weight of 367.83 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 154903600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).