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

C23H35NO5 — CID 71114764

IUPAC3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
SMILESCC(C)CC1CC(c2onc(C(CC(=O)O)CC(=O)OC(C)(C)C)c2C2CC2)C1
InChIInChI=1S/C23H35NO5/c1-13(2)8-14-9-17(10-14)22-20(15-6-7-15)21(24-29-22)16(11-18(25)26)12-19(27)28-23(3,4)5/h13-17H,6-12H2,1-5H3,(H,25,26)
InChIKeyKQOWOFCBLYUMPQ-UHFFFAOYSA-N
MW405.54 g/mol
LogP5.38
Rot. Bonds9

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

3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid (PubChem CID 71114764) has the molecular formula C23H35NO5 and a molecular weight of 405.54 g/mol. Its IUPAC name is 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid.

Molecular Properties

Compound Name3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
PubChem CID71114764
Molecular FormulaC23H35NO5
Molecular Weight405.54 g/mol
Exact Mass405.25
IUPAC Name3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
SMILESCC(C)CC1CC(c2onc(C(CC(=O)O)CC(=O)OC(C)(C)C)c2C2CC2)C1
InChIInChI=1S/C23H35NO5/c1-13(2)8-14-9-17(10-14)22-20(15-6-7-15)21(24-29-22)16(11-18(25)26)12-19(27)28-23(3,4)5/h13-17H,6-12H2,1-5H3,(H,25,26)
InChIKeyKQOWOFCBLYUMPQ-UHFFFAOYSA-N
XLogP5.38
TPSA89.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.54
LogP ≤ 55.38
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-methylpropyl)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-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid (CID 71114764) is 3-[4-cyclopropyl-5-[3-(2-methylpropyl)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-methylpropyl)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-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid is CC(C)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-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
The InChIKey is KQOWOFCBLYUMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35NO5/c1-13(2)8-14-9-17(10-14)22-20(15-6-7-15)21(24-29-22)16(11-18(25)26)12-19(27)28-23(3,4)5/h13-17H,6-12H2,1-5H3,(H,25,26).
What are the key properties of 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid has a molecular weight of 405.54 g/mol, XLogP of 5.38, 9 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-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid is sourced from PubChem (CID 71114764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).