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

C19H29NO4 — CID 71114784

IUPAC3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-5-hydroxypentanoic acid
SMILESCC(C)CC1CC(c2onc(C(CCO)CC(=O)O)c2C2CC2)C1
InChIInChI=1S/C19H29NO4/c1-11(2)7-12-8-15(9-12)19-17(13-3-4-13)18(20-24-19)14(5-6-21)10-16(22)23/h11-15,21H,3-10H2,1-2H3,(H,22,23)
InChIKeyPUDLHHDYTXMQBN-UHFFFAOYSA-N
MW335.44 g/mol
LogP4.03
Rot. Bonds9

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

3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-5-hydroxypentanoic acid (PubChem CID 71114784) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-5-hydroxypentanoic acid.

Molecular Properties

Compound Name3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-5-hydroxypentanoic acid
PubChem CID71114784
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Name3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-5-hydroxypentanoic acid
SMILESCC(C)CC1CC(c2onc(C(CCO)CC(=O)O)c2C2CC2)C1
InChIInChI=1S/C19H29NO4/c1-11(2)7-12-8-15(9-12)19-17(13-3-4-13)18(20-24-19)14(5-6-21)10-16(22)23/h11-15,21H,3-10H2,1-2H3,(H,22,23)
InChIKeyPUDLHHDYTXMQBN-UHFFFAOYSA-N
XLogP4.03
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-hydroxypentanoic acid?
The IUPAC name of 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-5-hydroxypentanoic acid (CID 71114784) is 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-5-hydroxypentanoic acid.
What is the SMILES notation for 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-5-hydroxypentanoic acid?
The canonical SMILES for 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-5-hydroxypentanoic acid is CC(C)CC1CC(c2onc(C(CCO)CC(=O)O)c2C2CC2)C1.
What is the InChIKey of 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-5-hydroxypentanoic acid?
The InChIKey is PUDLHHDYTXMQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4/c1-11(2)7-12-8-15(9-12)19-17(13-3-4-13)18(20-24-19)14(5-6-21)10-16(22)23/h11-15,21H,3-10H2,1-2H3,(H,22,23).
What are the key properties of 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-5-hydroxypentanoic acid?
3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-5-hydroxypentanoic acid has a molecular weight of 335.44 g/mol, XLogP of 4.03, 9 rotatable bonds, 2 hydrogen bond donors, and 4 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-hydroxypentanoic acid is sourced from PubChem (CID 71114784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).