4-[5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid

C15H18N2O3 — CID 60912451

IUPAC4-[5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
SMILESCC(C)(c1ccccc1)c1nnc(CCCC(=O)O)o1
InChIInChI=1S/C15H18N2O3/c1-15(2,11-7-4-3-5-8-11)14-17-16-12(20-14)9-6-10-13(18)19/h3-5,7-8H,6,9-10H2,1-2H3,(H,18,19)
InChIKeyBJHPPXMIWKPQBJ-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.80
Rot. Bonds6

About 4-[5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid

4-[5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid (PubChem CID 60912451) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-[5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid.

Molecular Properties

Compound Name4-[5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
PubChem CID60912451
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name4-[5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
SMILESCC(C)(c1ccccc1)c1nnc(CCCC(=O)O)o1
InChIInChI=1S/C15H18N2O3/c1-15(2,11-7-4-3-5-8-11)14-17-16-12(20-14)9-6-10-13(18)19/h3-5,7-8H,6,9-10H2,1-2H3,(H,18,19)
InChIKeyBJHPPXMIWKPQBJ-UHFFFAOYSA-N
XLogP2.80
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid?
The IUPAC name of 4-[5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid (CID 60912451) is 4-[5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid.
What is the SMILES notation for 4-[5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid?
The canonical SMILES for 4-[5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid is CC(C)(c1ccccc1)c1nnc(CCCC(=O)O)o1.
What is the InChIKey of 4-[5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid?
The InChIKey is BJHPPXMIWKPQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-15(2,11-7-4-3-5-8-11)14-17-16-12(20-14)9-6-10-13(18)19/h3-5,7-8H,6,9-10H2,1-2H3,(H,18,19).
What are the key properties of 4-[5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid?
4-[5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid has a molecular weight of 274.32 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid is sourced from PubChem (CID 60912451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).