methyl 2-(2,5-diethyl-4,5-dihydro-1,3-oxazol-4-yl)-5-ethyl-4,5-dihydro-1,3-oxazole-4-carboxylate

C14H22N2O4 — CID 71079146

IUPACmethyl 2-(2,5-diethyl-4,5-dihydro-1,3-oxazol-4-yl)-5-ethyl-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCCC1=NC(C2=NC(C(=O)OC)C(CC)O2)C(CC)O1
InChIInChI=1S/C14H22N2O4/c1-5-8-11(15-10(7-3)19-8)13-16-12(14(17)18-4)9(6-2)20-13/h8-9,11-12H,5-7H2,1-4H3
InChIKeyHKPJYNMQSSOHSP-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.72
Rot. Bonds5

About methyl 2-(2,5-diethyl-4,5-dihydro-1,3-oxazol-4-yl)-5-ethyl-4,5-dihydro-1,3-oxazole-4-carboxylate

methyl 2-(2,5-diethyl-4,5-dihydro-1,3-oxazol-4-yl)-5-ethyl-4,5-dihydro-1,3-oxazole-4-carboxylate (PubChem CID 71079146) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is methyl 2-(2,5-diethyl-4,5-dihydro-1,3-oxazol-4-yl)-5-ethyl-4,5-dihydro-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2,5-diethyl-4,5-dihydro-1,3-oxazol-4-yl)-5-ethyl-4,5-dihydro-1,3-oxazole-4-carboxylate
PubChem CID71079146
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Namemethyl 2-(2,5-diethyl-4,5-dihydro-1,3-oxazol-4-yl)-5-ethyl-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCCC1=NC(C2=NC(C(=O)OC)C(CC)O2)C(CC)O1
InChIInChI=1S/C14H22N2O4/c1-5-8-11(15-10(7-3)19-8)13-16-12(14(17)18-4)9(6-2)20-13/h8-9,11-12H,5-7H2,1-4H3
InChIKeyHKPJYNMQSSOHSP-UHFFFAOYSA-N
XLogP1.72
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,5-diethyl-4,5-dihydro-1,3-oxazol-4-yl)-5-ethyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-(2,5-diethyl-4,5-dihydro-1,3-oxazol-4-yl)-5-ethyl-4,5-dihydro-1,3-oxazole-4-carboxylate (CID 71079146) is methyl 2-(2,5-diethyl-4,5-dihydro-1,3-oxazol-4-yl)-5-ethyl-4,5-dihydro-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-(2,5-diethyl-4,5-dihydro-1,3-oxazol-4-yl)-5-ethyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-(2,5-diethyl-4,5-dihydro-1,3-oxazol-4-yl)-5-ethyl-4,5-dihydro-1,3-oxazole-4-carboxylate is CCC1=NC(C2=NC(C(=O)OC)C(CC)O2)C(CC)O1.
What is the InChIKey of methyl 2-(2,5-diethyl-4,5-dihydro-1,3-oxazol-4-yl)-5-ethyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
The InChIKey is HKPJYNMQSSOHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-5-8-11(15-10(7-3)19-8)13-16-12(14(17)18-4)9(6-2)20-13/h8-9,11-12H,5-7H2,1-4H3.
What are the key properties of methyl 2-(2,5-diethyl-4,5-dihydro-1,3-oxazol-4-yl)-5-ethyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
methyl 2-(2,5-diethyl-4,5-dihydro-1,3-oxazol-4-yl)-5-ethyl-4,5-dihydro-1,3-oxazole-4-carboxylate has a molecular weight of 282.34 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,5-diethyl-4,5-dihydro-1,3-oxazol-4-yl)-5-ethyl-4,5-dihydro-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 71079146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).