4-[3,5-bis(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-4-oxobutanoic acid

C16H15N5O5 — CID 156686282

IUPAC4-[3,5-bis(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-4-oxobutanoic acid
SMILESCc1nnc(-c2cc(NC(=O)CCC(=O)O)cc(-c3nnc(C)o3)c2)o1
InChIInChI=1S/C16H15N5O5/c1-8-18-20-15(25-8)10-5-11(16-21-19-9(2)26-16)7-12(6-10)17-13(22)3-4-14(23)24/h5-7H,3-4H2,1-2H3,(H,17,22)(H,23,24)
InChIKeyJUOFZVKRDXXFNG-UHFFFAOYSA-N
MW357.33 g/mol
LogP2.21
Rot. Bonds6

About 4-[3,5-bis(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-4-oxobutanoic acid

4-[3,5-bis(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-4-oxobutanoic acid (PubChem CID 156686282) has the molecular formula C16H15N5O5 and a molecular weight of 357.33 g/mol. Its IUPAC name is 4-[3,5-bis(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[3,5-bis(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-4-oxobutanoic acid
PubChem CID156686282
Molecular FormulaC16H15N5O5
Molecular Weight357.33 g/mol
Exact Mass357.11
IUPAC Name4-[3,5-bis(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-4-oxobutanoic acid
SMILESCc1nnc(-c2cc(NC(=O)CCC(=O)O)cc(-c3nnc(C)o3)c2)o1
InChIInChI=1S/C16H15N5O5/c1-8-18-20-15(25-8)10-5-11(16-21-19-9(2)26-16)7-12(6-10)17-13(22)3-4-14(23)24/h5-7H,3-4H2,1-2H3,(H,17,22)(H,23,24)
InChIKeyJUOFZVKRDXXFNG-UHFFFAOYSA-N
XLogP2.21
TPSA144.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[3,5-bis(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-4-oxobutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-4-oxobutanoic acid?
The IUPAC name of 4-[3,5-bis(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-4-oxobutanoic acid (CID 156686282) is 4-[3,5-bis(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[3,5-bis(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-4-oxobutanoic acid?
The canonical SMILES for 4-[3,5-bis(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-4-oxobutanoic acid is Cc1nnc(-c2cc(NC(=O)CCC(=O)O)cc(-c3nnc(C)o3)c2)o1.
What is the InChIKey of 4-[3,5-bis(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-4-oxobutanoic acid?
The InChIKey is JUOFZVKRDXXFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O5/c1-8-18-20-15(25-8)10-5-11(16-21-19-9(2)26-16)7-12(6-10)17-13(22)3-4-14(23)24/h5-7H,3-4H2,1-2H3,(H,17,22)(H,23,24).
What are the key properties of 4-[3,5-bis(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-4-oxobutanoic acid?
4-[3,5-bis(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-4-oxobutanoic acid has a molecular weight of 357.33 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-bis(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-4-oxobutanoic acid is sourced from PubChem (CID 156686282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).