ethyl (4R)-2-[[(4S)-4-ethoxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]methoxymethyl]-4,5-dihydro-1,3-oxazole-4-carboxylate

C14H20N2O7 — CID 59919132

IUPACethyl (4R)-2-[[(4S)-4-ethoxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]methoxymethyl]-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)[C@@H]1COC(COCC2=N[C@@H](C(=O)OCC)CO2)=N1
InChIInChI=1S/C14H20N2O7/c1-3-20-13(17)9-5-22-11(15-9)7-19-8-12-16-10(6-23-12)14(18)21-4-2/h9-10H,3-8H2,1-2H3/t9-,10+
InChIKeyUQYDGDVDWNIOPH-AOOOYVTPSA-N
MW328.32 g/mol
LogP-0.28
Rot. Bonds8

About ethyl (4R)-2-[[(4S)-4-ethoxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]methoxymethyl]-4,5-dihydro-1,3-oxazole-4-carboxylate

ethyl (4R)-2-[[(4S)-4-ethoxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]methoxymethyl]-4,5-dihydro-1,3-oxazole-4-carboxylate (PubChem CID 59919132) has the molecular formula C14H20N2O7 and a molecular weight of 328.32 g/mol. Its IUPAC name is ethyl (4R)-2-[[(4S)-4-ethoxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]methoxymethyl]-4,5-dihydro-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl (4R)-2-[[(4S)-4-ethoxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]methoxymethyl]-4,5-dihydro-1,3-oxazole-4-carboxylate
PubChem CID59919132
Molecular FormulaC14H20N2O7
Molecular Weight328.32 g/mol
Exact Mass328.13
IUPAC Nameethyl (4R)-2-[[(4S)-4-ethoxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]methoxymethyl]-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)[C@@H]1COC(COCC2=N[C@@H](C(=O)OCC)CO2)=N1
InChIInChI=1S/C14H20N2O7/c1-3-20-13(17)9-5-22-11(15-9)7-19-8-12-16-10(6-23-12)14(18)21-4-2/h9-10H,3-8H2,1-2H3/t9-,10+
InChIKeyUQYDGDVDWNIOPH-AOOOYVTPSA-N
XLogP-0.28
TPSA105.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-2-[[(4S)-4-ethoxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]methoxymethyl]-4,5-dihydro-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl (4R)-2-[[(4S)-4-ethoxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]methoxymethyl]-4,5-dihydro-1,3-oxazole-4-carboxylate (CID 59919132) is ethyl (4R)-2-[[(4S)-4-ethoxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]methoxymethyl]-4,5-dihydro-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl (4R)-2-[[(4S)-4-ethoxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]methoxymethyl]-4,5-dihydro-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl (4R)-2-[[(4S)-4-ethoxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]methoxymethyl]-4,5-dihydro-1,3-oxazole-4-carboxylate is CCOC(=O)[C@@H]1COC(COCC2=N[C@@H](C(=O)OCC)CO2)=N1.
What is the InChIKey of ethyl (4R)-2-[[(4S)-4-ethoxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]methoxymethyl]-4,5-dihydro-1,3-oxazole-4-carboxylate?
The InChIKey is UQYDGDVDWNIOPH-AOOOYVTPSA-N. The full InChI is InChI=1S/C14H20N2O7/c1-3-20-13(17)9-5-22-11(15-9)7-19-8-12-16-10(6-23-12)14(18)21-4-2/h9-10H,3-8H2,1-2H3/t9-,10+.
What are the key properties of ethyl (4R)-2-[[(4S)-4-ethoxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]methoxymethyl]-4,5-dihydro-1,3-oxazole-4-carboxylate?
ethyl (4R)-2-[[(4S)-4-ethoxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]methoxymethyl]-4,5-dihydro-1,3-oxazole-4-carboxylate has a molecular weight of 328.32 g/mol, XLogP of -0.28, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R)-2-[[(4S)-4-ethoxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]methoxymethyl]-4,5-dihydro-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 59919132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).