propan-2-yl (4S)-2-[[(4S)-4-propan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole-4-carboxylate

C15H22N2O6 — CID 101354228

IUPACpropan-2-yl (4S)-2-[[(4S)-4-propan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCC(C)OC(=O)[C@@H]1COC(CC2=N[C@H](C(=O)OC(C)C)CO2)=N1
InChIInChI=1S/C15H22N2O6/c1-8(2)22-14(18)10-6-20-12(16-10)5-13-17-11(7-21-13)15(19)23-9(3)4/h8-11H,5-7H2,1-4H3/t10-,11-/m0/s1
InChIKeyZROFBKMMYOTWJY-QWRGUYRKSA-N
MW326.35 g/mol
LogP0.87
Rot. Bonds6

About propan-2-yl (4S)-2-[[(4S)-4-propan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole-4-carboxylate

propan-2-yl (4S)-2-[[(4S)-4-propan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole-4-carboxylate (PubChem CID 101354228) has the molecular formula C15H22N2O6 and a molecular weight of 326.35 g/mol. Its IUPAC name is propan-2-yl (4S)-2-[[(4S)-4-propan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namepropan-2-yl (4S)-2-[[(4S)-4-propan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole-4-carboxylate
PubChem CID101354228
Molecular FormulaC15H22N2O6
Molecular Weight326.35 g/mol
Exact Mass326.15
IUPAC Namepropan-2-yl (4S)-2-[[(4S)-4-propan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCC(C)OC(=O)[C@@H]1COC(CC2=N[C@H](C(=O)OC(C)C)CO2)=N1
InChIInChI=1S/C15H22N2O6/c1-8(2)22-14(18)10-6-20-12(16-10)5-13-17-11(7-21-13)15(19)23-9(3)4/h8-11H,5-7H2,1-4H3/t10-,11-/m0/s1
InChIKeyZROFBKMMYOTWJY-QWRGUYRKSA-N
XLogP0.87
TPSA95.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze propan-2-yl (4S)-2-[[(4S)-4-propan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl (4S)-2-[[(4S)-4-propan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole-4-carboxylate?
The IUPAC name of propan-2-yl (4S)-2-[[(4S)-4-propan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole-4-carboxylate (CID 101354228) is propan-2-yl (4S)-2-[[(4S)-4-propan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole-4-carboxylate.
What is the SMILES notation for propan-2-yl (4S)-2-[[(4S)-4-propan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole-4-carboxylate?
The canonical SMILES for propan-2-yl (4S)-2-[[(4S)-4-propan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole-4-carboxylate is CC(C)OC(=O)[C@@H]1COC(CC2=N[C@H](C(=O)OC(C)C)CO2)=N1.
What is the InChIKey of propan-2-yl (4S)-2-[[(4S)-4-propan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole-4-carboxylate?
The InChIKey is ZROFBKMMYOTWJY-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H22N2O6/c1-8(2)22-14(18)10-6-20-12(16-10)5-13-17-11(7-21-13)15(19)23-9(3)4/h8-11H,5-7H2,1-4H3/t10-,11-/m0/s1.
What are the key properties of propan-2-yl (4S)-2-[[(4S)-4-propan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole-4-carboxylate?
propan-2-yl (4S)-2-[[(4S)-4-propan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole-4-carboxylate has a molecular weight of 326.35 g/mol, XLogP of 0.87, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (4S)-2-[[(4S)-4-propan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 101354228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).