2-methyl-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]pentanoic acid

C17H21N3O4 — CID 119192005

IUPAC2-methyl-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]pentanoic acid
SMILESCCCC(C)(NC(=O)CCc1nnc(-c2ccccc2)o1)C(=O)O
InChIInChI=1S/C17H21N3O4/c1-3-11-17(2,16(22)23)18-13(21)9-10-14-19-20-15(24-14)12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H,18,21)(H,22,23)
InChIKeyFOEUSKYOHBZVGV-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.43
Rot. Bonds8

About 2-methyl-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]pentanoic acid

2-methyl-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]pentanoic acid (PubChem CID 119192005) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-methyl-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]pentanoic acid
PubChem CID119192005
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name2-methyl-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]pentanoic acid
SMILESCCCC(C)(NC(=O)CCc1nnc(-c2ccccc2)o1)C(=O)O
InChIInChI=1S/C17H21N3O4/c1-3-11-17(2,16(22)23)18-13(21)9-10-14-19-20-15(24-14)12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H,18,21)(H,22,23)
InChIKeyFOEUSKYOHBZVGV-UHFFFAOYSA-N
XLogP2.43
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-5-propyl-1,3,4-oxadiazole
CID 14949000
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CID 51217058
N-(2-tert-butylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 110333760
N-(2-ethylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 51217348
N-(1-phenylbutyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 24547864
N-ethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide
CID 46249412
N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]pentanamide
CID 110320370
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-pyrimidin-2-ylpropanamide
CID 29368415
2-methyl-2-[3-(5-methylfuran-2-yl)propanoylamino]pentanoic acid
CID 84588870
3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoate
CID 7130632
2-methyl-2-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid
CID 119191937
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(3-phenylpropyl)propanamide
CID 56706628

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]pentanoic acid?
The IUPAC name of 2-methyl-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]pentanoic acid (CID 119192005) is 2-methyl-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]pentanoic acid?
The canonical SMILES for 2-methyl-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]pentanoic acid is CCCC(C)(NC(=O)CCc1nnc(-c2ccccc2)o1)C(=O)O.
What is the InChIKey of 2-methyl-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]pentanoic acid?
The InChIKey is FOEUSKYOHBZVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-3-11-17(2,16(22)23)18-13(21)9-10-14-19-20-15(24-14)12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H,18,21)(H,22,23).
What are the key properties of 2-methyl-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]pentanoic acid?
2-methyl-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]pentanoic acid has a molecular weight of 331.37 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]pentanoic acid is sourced from PubChem (CID 119192005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).