(2S)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-methoxyethyl)morpholine-4-carboxamide

C13H22N4O4 — CID 126447140

IUPAC(2S)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-methoxyethyl)morpholine-4-carboxamide
SMILESCCc1noc(CNC(=O)N2CCO[C@@H](CCOC)C2)n1
InChIInChI=1S/C13H22N4O4/c1-3-11-15-12(21-16-11)8-14-13(18)17-5-7-20-10(9-17)4-6-19-2/h10H,3-9H2,1-2H3,(H,14,18)/t10-/m0/s1
InChIKeyJYIFOBRTUGRVKX-JTQLQIEISA-N
MW298.34 g/mol
LogP0.58
Rot. Bonds6

About (2S)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-methoxyethyl)morpholine-4-carboxamide

(2S)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-methoxyethyl)morpholine-4-carboxamide (PubChem CID 126447140) has the molecular formula C13H22N4O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is (2S)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-methoxyethyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-methoxyethyl)morpholine-4-carboxamide
PubChem CID126447140
Molecular FormulaC13H22N4O4
Molecular Weight298.34 g/mol
Exact Mass298.16
IUPAC Name(2S)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-methoxyethyl)morpholine-4-carboxamide
SMILESCCc1noc(CNC(=O)N2CCO[C@@H](CCOC)C2)n1
InChIInChI=1S/C13H22N4O4/c1-3-11-15-12(21-16-11)8-14-13(18)17-5-7-20-10(9-17)4-6-19-2/h10H,3-9H2,1-2H3,(H,14,18)/t10-/m0/s1
InChIKeyJYIFOBRTUGRVKX-JTQLQIEISA-N
XLogP0.58
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(2-methoxyethyl)morpholine-4-carboxamide
CID 125439279
(3R)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide
CID 125438766
4-acetyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carboxamide
CID 122560318
2-(2-methoxyethyl)-N-[4-(4-methylphenyl)phenyl]morpholine-4-carboxamide
CID 118784925
(2S)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine-4-carboxamide
CID 97272782
(2S)-N-(2,3-difluorophenyl)-2-(2-methoxyethyl)morpholine-4-carboxamide
CID 97278282
(2R)-N-(2,3-difluorophenyl)-2-(2-methoxyethyl)morpholine-4-carboxamide
CID 97278281
(2R)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-(4-fluoro-3-methoxyphenyl)morpholine-4-carboxamide
CID 97284024
(2R)-N-(2-chloro-6-methylphenyl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine-4-carboxamide
CID 97276864
N-(2-chloro-6-methylphenyl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine-4-carboxamide
CID 72886432
2-(2,5-dimethylphenyl)-1-[2-(2-methoxyethyl)morpholin-4-yl]ethanone
CID 91769226
N-(3-cyano-4-ethoxyphenyl)-2-(2-methoxyethyl)morpholine-4-carboxamide
CID 118769323

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-methoxyethyl)morpholine-4-carboxamide?
The IUPAC name of (2S)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-methoxyethyl)morpholine-4-carboxamide (CID 126447140) is (2S)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-methoxyethyl)morpholine-4-carboxamide.
What is the SMILES notation for (2S)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-methoxyethyl)morpholine-4-carboxamide?
The canonical SMILES for (2S)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-methoxyethyl)morpholine-4-carboxamide is CCc1noc(CNC(=O)N2CCO[C@@H](CCOC)C2)n1.
What is the InChIKey of (2S)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-methoxyethyl)morpholine-4-carboxamide?
The InChIKey is JYIFOBRTUGRVKX-JTQLQIEISA-N. The full InChI is InChI=1S/C13H22N4O4/c1-3-11-15-12(21-16-11)8-14-13(18)17-5-7-20-10(9-17)4-6-19-2/h10H,3-9H2,1-2H3,(H,14,18)/t10-/m0/s1.
What are the key properties of (2S)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-methoxyethyl)morpholine-4-carboxamide?
(2S)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-methoxyethyl)morpholine-4-carboxamide has a molecular weight of 298.34 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-methoxyethyl)morpholine-4-carboxamide is sourced from PubChem (CID 126447140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).