(5-ethyl-1,3-oxazol-4-yl)-[(3S)-3-(2-methoxyethyl)morpholin-4-yl]methanone

C13H20N2O4 — CID 164642040

IUPAC(5-ethyl-1,3-oxazol-4-yl)-[(3S)-3-(2-methoxyethyl)morpholin-4-yl]methanone
SMILESCCc1ocnc1C(=O)N1CCOC[C@@H]1CCOC
InChIInChI=1S/C13H20N2O4/c1-3-11-12(14-9-19-11)13(16)15-5-7-18-8-10(15)4-6-17-2/h9-10H,3-8H2,1-2H3/t10-/m0/s1
InChIKeyPTAYSGGPJGSIMV-JTQLQIEISA-N
MW268.31 g/mol
LogP1.11
Rot. Bonds5

About (5-ethyl-1,3-oxazol-4-yl)-[(3S)-3-(2-methoxyethyl)morpholin-4-yl]methanone

(5-ethyl-1,3-oxazol-4-yl)-[(3S)-3-(2-methoxyethyl)morpholin-4-yl]methanone (PubChem CID 164642040) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is (5-ethyl-1,3-oxazol-4-yl)-[(3S)-3-(2-methoxyethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(5-ethyl-1,3-oxazol-4-yl)-[(3S)-3-(2-methoxyethyl)morpholin-4-yl]methanone
PubChem CID164642040
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name(5-ethyl-1,3-oxazol-4-yl)-[(3S)-3-(2-methoxyethyl)morpholin-4-yl]methanone
SMILESCCc1ocnc1C(=O)N1CCOC[C@@H]1CCOC
InChIInChI=1S/C13H20N2O4/c1-3-11-12(14-9-19-11)13(16)15-5-7-18-8-10(15)4-6-17-2/h9-10H,3-8H2,1-2H3/t10-/m0/s1
InChIKeyPTAYSGGPJGSIMV-JTQLQIEISA-N
XLogP1.11
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-ethyl-1,3-oxazol-4-yl)-[(3S)-3-(2-methoxyethyl)morpholin-4-yl]methanone?
The IUPAC name of (5-ethyl-1,3-oxazol-4-yl)-[(3S)-3-(2-methoxyethyl)morpholin-4-yl]methanone (CID 164642040) is (5-ethyl-1,3-oxazol-4-yl)-[(3S)-3-(2-methoxyethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (5-ethyl-1,3-oxazol-4-yl)-[(3S)-3-(2-methoxyethyl)morpholin-4-yl]methanone?
The canonical SMILES for (5-ethyl-1,3-oxazol-4-yl)-[(3S)-3-(2-methoxyethyl)morpholin-4-yl]methanone is CCc1ocnc1C(=O)N1CCOC[C@@H]1CCOC.
What is the InChIKey of (5-ethyl-1,3-oxazol-4-yl)-[(3S)-3-(2-methoxyethyl)morpholin-4-yl]methanone?
The InChIKey is PTAYSGGPJGSIMV-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N2O4/c1-3-11-12(14-9-19-11)13(16)15-5-7-18-8-10(15)4-6-17-2/h9-10H,3-8H2,1-2H3/t10-/m0/s1.
What are the key properties of (5-ethyl-1,3-oxazol-4-yl)-[(3S)-3-(2-methoxyethyl)morpholin-4-yl]methanone?
(5-ethyl-1,3-oxazol-4-yl)-[(3S)-3-(2-methoxyethyl)morpholin-4-yl]methanone has a molecular weight of 268.31 g/mol, XLogP of 1.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-1,3-oxazol-4-yl)-[(3S)-3-(2-methoxyethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 164642040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).