ethyl 5-[(2-ethoxy-2-oxoethoxy)methyl]-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate

C14H23NO6 — CID 167362847

IUPACethyl 5-[(2-ethoxy-2-oxoethoxy)methyl]-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)COCC1(C(=O)OCC)CC(C(C)C)=NO1
InChIInChI=1S/C14H23NO6/c1-5-19-12(16)8-18-9-14(13(17)20-6-2)7-11(10(3)4)15-21-14/h10H,5-9H2,1-4H3
InChIKeyBKGXTPQAERDQSN-UHFFFAOYSA-N
MW301.34 g/mol
LogP1.30
Rot. Bonds8

About ethyl 5-[(2-ethoxy-2-oxoethoxy)methyl]-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate

ethyl 5-[(2-ethoxy-2-oxoethoxy)methyl]-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate (PubChem CID 167362847) has the molecular formula C14H23NO6 and a molecular weight of 301.34 g/mol. Its IUPAC name is ethyl 5-[(2-ethoxy-2-oxoethoxy)methyl]-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(2-ethoxy-2-oxoethoxy)methyl]-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate
PubChem CID167362847
Molecular FormulaC14H23NO6
Molecular Weight301.34 g/mol
Exact Mass301.15
IUPAC Nameethyl 5-[(2-ethoxy-2-oxoethoxy)methyl]-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)COCC1(C(=O)OCC)CC(C(C)C)=NO1
InChIInChI=1S/C14H23NO6/c1-5-19-12(16)8-18-9-14(13(17)20-6-2)7-11(10(3)4)15-21-14/h10H,5-9H2,1-4H3
InChIKeyBKGXTPQAERDQSN-UHFFFAOYSA-N
XLogP1.30
TPSA83.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2-ethoxy-2-oxoethoxy)methyl]-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate?
The IUPAC name of ethyl 5-[(2-ethoxy-2-oxoethoxy)methyl]-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate (CID 167362847) is ethyl 5-[(2-ethoxy-2-oxoethoxy)methyl]-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 5-[(2-ethoxy-2-oxoethoxy)methyl]-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate?
The canonical SMILES for ethyl 5-[(2-ethoxy-2-oxoethoxy)methyl]-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate is CCOC(=O)COCC1(C(=O)OCC)CC(C(C)C)=NO1.
What is the InChIKey of ethyl 5-[(2-ethoxy-2-oxoethoxy)methyl]-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate?
The InChIKey is BKGXTPQAERDQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO6/c1-5-19-12(16)8-18-9-14(13(17)20-6-2)7-11(10(3)4)15-21-14/h10H,5-9H2,1-4H3.
What are the key properties of ethyl 5-[(2-ethoxy-2-oxoethoxy)methyl]-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate?
ethyl 5-[(2-ethoxy-2-oxoethoxy)methyl]-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate has a molecular weight of 301.34 g/mol, XLogP of 1.30, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2-ethoxy-2-oxoethoxy)methyl]-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 167362847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).