pentan-2-yl (4R)-2-[1-[(4R)-4-pentan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclobutyl]-4,5-dihydro-1,3-oxazole-4-carboxylate

C22H34N2O6 — CID 90449294

IUPACpentan-2-yl (4R)-2-[1-[(4R)-4-pentan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclobutyl]-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCCCC(C)OC(=O)[C@H]1COC(C2(C3=N[C@@H](C(=O)OC(C)CCC)CO3)CCC2)=N1
InChIInChI=1S/C22H34N2O6/c1-5-8-14(3)29-18(25)16-12-27-20(23-16)22(10-7-11-22)21-24-17(13-28-21)19(26)30-15(4)9-6-2/h14-17H,5-13H2,1-4H3/t14?,15?,16-,17-/m1/s1
InChIKeyABKBIFUZKRQOHL-BHUNQDJPSA-N
MW422.52 g/mol
LogP3.21
Rot. Bonds10

About pentan-2-yl (4R)-2-[1-[(4R)-4-pentan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclobutyl]-4,5-dihydro-1,3-oxazole-4-carboxylate

pentan-2-yl (4R)-2-[1-[(4R)-4-pentan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclobutyl]-4,5-dihydro-1,3-oxazole-4-carboxylate (PubChem CID 90449294) has the molecular formula C22H34N2O6 and a molecular weight of 422.52 g/mol. Its IUPAC name is pentan-2-yl (4R)-2-[1-[(4R)-4-pentan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclobutyl]-4,5-dihydro-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namepentan-2-yl (4R)-2-[1-[(4R)-4-pentan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclobutyl]-4,5-dihydro-1,3-oxazole-4-carboxylate
PubChem CID90449294
Molecular FormulaC22H34N2O6
Molecular Weight422.52 g/mol
Exact Mass422.24
IUPAC Namepentan-2-yl (4R)-2-[1-[(4R)-4-pentan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclobutyl]-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCCCC(C)OC(=O)[C@H]1COC(C2(C3=N[C@@H](C(=O)OC(C)CCC)CO3)CCC2)=N1
InChIInChI=1S/C22H34N2O6/c1-5-8-14(3)29-18(25)16-12-27-20(23-16)22(10-7-11-22)21-24-17(13-28-21)19(26)30-15(4)9-6-2/h14-17H,5-13H2,1-4H3/t14?,15?,16-,17-/m1/s1
InChIKeyABKBIFUZKRQOHL-BHUNQDJPSA-N
XLogP3.21
TPSA95.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.52
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of pentan-2-yl (4R)-2-[1-[(4R)-4-pentan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclobutyl]-4,5-dihydro-1,3-oxazole-4-carboxylate?
The IUPAC name of pentan-2-yl (4R)-2-[1-[(4R)-4-pentan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclobutyl]-4,5-dihydro-1,3-oxazole-4-carboxylate (CID 90449294) is pentan-2-yl (4R)-2-[1-[(4R)-4-pentan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclobutyl]-4,5-dihydro-1,3-oxazole-4-carboxylate.
What is the SMILES notation for pentan-2-yl (4R)-2-[1-[(4R)-4-pentan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclobutyl]-4,5-dihydro-1,3-oxazole-4-carboxylate?
The canonical SMILES for pentan-2-yl (4R)-2-[1-[(4R)-4-pentan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclobutyl]-4,5-dihydro-1,3-oxazole-4-carboxylate is CCCC(C)OC(=O)[C@H]1COC(C2(C3=N[C@@H](C(=O)OC(C)CCC)CO3)CCC2)=N1.
What is the InChIKey of pentan-2-yl (4R)-2-[1-[(4R)-4-pentan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclobutyl]-4,5-dihydro-1,3-oxazole-4-carboxylate?
The InChIKey is ABKBIFUZKRQOHL-BHUNQDJPSA-N. The full InChI is InChI=1S/C22H34N2O6/c1-5-8-14(3)29-18(25)16-12-27-20(23-16)22(10-7-11-22)21-24-17(13-28-21)19(26)30-15(4)9-6-2/h14-17H,5-13H2,1-4H3/t14?,15?,16-,17-/m1/s1.
What are the key properties of pentan-2-yl (4R)-2-[1-[(4R)-4-pentan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclobutyl]-4,5-dihydro-1,3-oxazole-4-carboxylate?
pentan-2-yl (4R)-2-[1-[(4R)-4-pentan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclobutyl]-4,5-dihydro-1,3-oxazole-4-carboxylate has a molecular weight of 422.52 g/mol, XLogP of 3.21, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for pentan-2-yl (4R)-2-[1-[(4R)-4-pentan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclobutyl]-4,5-dihydro-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 90449294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).