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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Related Compounds

ethyl 5-ethyl-3-(hydroxymethyl)-4H-1,2-oxazole-5-carboxylate
CID 68834755
prop-2-enyl 5-methyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate
CID 167362859
ethyl 3-[(1S)-2-methyl-1-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]propyl]-5-pentyl-4H-1,2-oxazole-5-carboxylate
CID 139945695
ethyl 3-(3,5-difluorophenyl)-5-ethyl-4H-1,2-oxazole-5-carboxylate
CID 118268538
ethyl 2-(2-propan-2-yloxyethoxy)acetate
CID 43119673
ethyl 2-propan-2-yloxyacetate
CID 537908
ethoxyethane;bis(ethyl 2-ethoxyacetate)
CID 160643191
ethyl 5-ethyl-3-naphthalen-2-yl-4H-1,2-oxazole-5-carboxylate
CID 68830519
ethyl 3-chloro-5-methyl-4H-1,2-oxazole-5-carboxylate
CID 156692971
ethyl 2-(2-oxo-2-pentan-2-yloxyethoxy)acetate
CID 91709862
ethyl 2-[2-(3-methylbutoxy)-2-oxoethoxy]acetate
CID 91695893
ethyl 3-(aminomethyl)-5-[(4-chlorophenyl)methyl]-4H-1,2-oxazole-5-carboxylate
CID 163398510

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).