3-[4-cyclopropyl-5-[3-(2-ethylbutyl)cyclobutyl]-1,2-oxazol-3-yl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid

C25H39NO5 — CID 71114728

IUPAC3-[4-cyclopropyl-5-[3-(2-ethylbutyl)cyclobutyl]-1,2-oxazol-3-yl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
SMILESCCC(CC)CC1CC(c2onc(C(CC(=O)O)CC(=O)OC(C)(C)C)c2C2CC2)C1
InChIInChI=1S/C25H39NO5/c1-6-15(7-2)10-16-11-19(12-16)24-22(17-8-9-17)23(26-31-24)18(13-20(27)28)14-21(29)30-25(3,4)5/h15-19H,6-14H2,1-5H3,(H,27,28)
InChIKeyFOGMKLDNJKACCF-UHFFFAOYSA-N
MW433.59 g/mol
LogP6.16
Rot. Bonds11

About 3-[4-cyclopropyl-5-[3-(2-ethylbutyl)cyclobutyl]-1,2-oxazol-3-yl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid

3-[4-cyclopropyl-5-[3-(2-ethylbutyl)cyclobutyl]-1,2-oxazol-3-yl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid (PubChem CID 71114728) has the molecular formula C25H39NO5 and a molecular weight of 433.59 g/mol. Its IUPAC name is 3-[4-cyclopropyl-5-[3-(2-ethylbutyl)cyclobutyl]-1,2-oxazol-3-yl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid.

Molecular Properties

Compound Name3-[4-cyclopropyl-5-[3-(2-ethylbutyl)cyclobutyl]-1,2-oxazol-3-yl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
PubChem CID71114728
Molecular FormulaC25H39NO5
Molecular Weight433.59 g/mol
Exact Mass433.28
IUPAC Name3-[4-cyclopropyl-5-[3-(2-ethylbutyl)cyclobutyl]-1,2-oxazol-3-yl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
SMILESCCC(CC)CC1CC(c2onc(C(CC(=O)O)CC(=O)OC(C)(C)C)c2C2CC2)C1
InChIInChI=1S/C25H39NO5/c1-6-15(7-2)10-16-11-19(12-16)24-22(17-8-9-17)23(26-31-24)18(13-20(27)28)14-21(29)30-25(3,4)5/h15-19H,6-14H2,1-5H3,(H,27,28)
InChIKeyFOGMKLDNJKACCF-UHFFFAOYSA-N
XLogP6.16
TPSA89.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.59
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-cyclopropyl-5-[3-(2-ethylbutyl)cyclobutyl]-1,2-oxazol-3-yl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
The IUPAC name of 3-[4-cyclopropyl-5-[3-(2-ethylbutyl)cyclobutyl]-1,2-oxazol-3-yl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid (CID 71114728) is 3-[4-cyclopropyl-5-[3-(2-ethylbutyl)cyclobutyl]-1,2-oxazol-3-yl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid.
What is the SMILES notation for 3-[4-cyclopropyl-5-[3-(2-ethylbutyl)cyclobutyl]-1,2-oxazol-3-yl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
The canonical SMILES for 3-[4-cyclopropyl-5-[3-(2-ethylbutyl)cyclobutyl]-1,2-oxazol-3-yl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid is CCC(CC)CC1CC(c2onc(C(CC(=O)O)CC(=O)OC(C)(C)C)c2C2CC2)C1.
What is the InChIKey of 3-[4-cyclopropyl-5-[3-(2-ethylbutyl)cyclobutyl]-1,2-oxazol-3-yl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
The InChIKey is FOGMKLDNJKACCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39NO5/c1-6-15(7-2)10-16-11-19(12-16)24-22(17-8-9-17)23(26-31-24)18(13-20(27)28)14-21(29)30-25(3,4)5/h15-19H,6-14H2,1-5H3,(H,27,28).
What are the key properties of 3-[4-cyclopropyl-5-[3-(2-ethylbutyl)cyclobutyl]-1,2-oxazol-3-yl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
3-[4-cyclopropyl-5-[3-(2-ethylbutyl)cyclobutyl]-1,2-oxazol-3-yl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid has a molecular weight of 433.59 g/mol, XLogP of 6.16, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-cyclopropyl-5-[3-(2-ethylbutyl)cyclobutyl]-1,2-oxazol-3-yl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid is sourced from PubChem (CID 71114728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).