[(3S)-3-ethylmorpholin-4-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone

C13H20N2O4 — CID 70708987

IUPAC[(3S)-3-ethylmorpholin-4-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone
SMILESCC[C@H]1COCCN1C(=O)c1noc(C)c1COC
InChIInChI=1S/C13H20N2O4/c1-4-10-7-18-6-5-15(10)13(16)12-11(8-17-3)9(2)19-14-12/h10H,4-8H2,1-3H3/t10-/m0/s1
InChIKeySEQAOVSLZHFMAG-JTQLQIEISA-N
MW268.31 g/mol
LogP1.38
Rot. Bonds4

About [(3S)-3-ethylmorpholin-4-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone

[(3S)-3-ethylmorpholin-4-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone (PubChem CID 70708987) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is [(3S)-3-ethylmorpholin-4-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-ethylmorpholin-4-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone
PubChem CID70708987
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name[(3S)-3-ethylmorpholin-4-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone
SMILESCC[C@H]1COCCN1C(=O)c1noc(C)c1COC
InChIInChI=1S/C13H20N2O4/c1-4-10-7-18-6-5-15(10)13(16)12-11(8-17-3)9(2)19-14-12/h10H,4-8H2,1-3H3/t10-/m0/s1
InChIKeySEQAOVSLZHFMAG-JTQLQIEISA-N
XLogP1.38
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3S)-3-ethylmorpholin-4-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone with MolForge

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Related Compounds

[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]methanone
CID 125010537
[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 70726176
(4-chloro-1,5-dimethylpyrazol-3-yl)-[(3S)-3-ethylmorpholin-4-yl]methanone
CID 70772303
(3,6-dichloro-2-pyridinyl)-(3-ethylmorpholin-4-yl)methanone
CID 43613155
2-(3-ethylmorpholine-4-carbonyl)-3,6-dimethylbenzoic acid
CID 103428878
2-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)morpholin-3-yl]acetic acid
CID 56905000
(3-ethylmorpholin-4-yl)-(5-hydroxy-3-pyridinyl)methanone
CID 55257874
tert-butyl (3S)-3-ethylmorpholine-4-carboxylate
CID 135215862
3-ethylmorpholine-4-carbonyl chloride
CID 79887430
2-(3-ethylmorpholine-4-carbonyl)-1,3-thiazole-4-carboxylic acid
CID 116696729
(3-ethylmorpholin-4-yl)-(5-iodothiophen-3-yl)methanone
CID 78966403
[2-(3-aminopyrazin-2-yl)morpholin-4-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone
CID 110119170

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-ethylmorpholin-4-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone?
The IUPAC name of [(3S)-3-ethylmorpholin-4-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone (CID 70708987) is [(3S)-3-ethylmorpholin-4-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for [(3S)-3-ethylmorpholin-4-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone?
The canonical SMILES for [(3S)-3-ethylmorpholin-4-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone is CC[C@H]1COCCN1C(=O)c1noc(C)c1COC.
What is the InChIKey of [(3S)-3-ethylmorpholin-4-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone?
The InChIKey is SEQAOVSLZHFMAG-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N2O4/c1-4-10-7-18-6-5-15(10)13(16)12-11(8-17-3)9(2)19-14-12/h10H,4-8H2,1-3H3/t10-/m0/s1.
What are the key properties of [(3S)-3-ethylmorpholin-4-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone?
[(3S)-3-ethylmorpholin-4-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone has a molecular weight of 268.31 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-ethylmorpholin-4-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 70708987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).