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

C15H18N2O3 — CID 62539693

IUPAC4-[5-[(2,5-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]butanoic acid
SMILESCc1ccc(C)c(Cc2nnc(CCCC(=O)O)o2)c1
InChIInChI=1S/C15H18N2O3/c1-10-6-7-11(2)12(8-10)9-14-17-16-13(20-14)4-3-5-15(18)19/h6-8H,3-5,9H2,1-2H3,(H,18,19)
InChIKeyUEWFIWMMYAASBZ-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.68
Rot. Bonds6

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

4-[5-[(2,5-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]butanoic acid (PubChem CID 62539693) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-[5-[(2,5-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]butanoic acid.

Molecular Properties

Compound Name4-[5-[(2,5-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]butanoic acid
PubChem CID62539693
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name4-[5-[(2,5-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]butanoic acid
SMILESCc1ccc(C)c(Cc2nnc(CCCC(=O)O)o2)c1
InChIInChI=1S/C15H18N2O3/c1-10-6-7-11(2)12(8-10)9-14-17-16-13(20-14)4-3-5-15(18)19/h6-8H,3-5,9H2,1-2H3,(H,18,19)
InChIKeyUEWFIWMMYAASBZ-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-ethyl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 60911431
4-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 54929386
4-[5-[(3-hydroxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]butanoic acid
CID 61399896
2-(2,5-dimethylphenyl)-N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 16917814
4-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 60912310
3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanoic acid
CID 54928865
4-[5-(4-fluoro-3-methylphenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 55162479
dihydroxy(oxo)phosphanium;3-(2,5-dimethylphenyl)propanoic acid
CID 174848478
4-(2-fluoro-5-methylphenyl)butanoic acid
CID 83698985
5-[(2,5-dimethylphenyl)methylamino]pentanoic acid
CID 115219012
5-[5-[(4-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]pentanoic acid
CID 60911711
5-(5-methyl-1,3,4-oxadiazol-2-yl)pentanoic acid
CID 60911040

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(2,5-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]butanoic acid?
The IUPAC name of 4-[5-[(2,5-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]butanoic acid (CID 62539693) is 4-[5-[(2,5-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]butanoic acid.
What is the SMILES notation for 4-[5-[(2,5-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]butanoic acid?
The canonical SMILES for 4-[5-[(2,5-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]butanoic acid is Cc1ccc(C)c(Cc2nnc(CCCC(=O)O)o2)c1.
What is the InChIKey of 4-[5-[(2,5-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]butanoic acid?
The InChIKey is UEWFIWMMYAASBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10-6-7-11(2)12(8-10)9-14-17-16-13(20-14)4-3-5-15(18)19/h6-8H,3-5,9H2,1-2H3,(H,18,19).
What are the key properties of 4-[5-[(2,5-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]butanoic acid?
4-[5-[(2,5-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]butanoic acid has a molecular weight of 274.32 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(2,5-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]butanoic acid is sourced from PubChem (CID 62539693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).