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

C12H16N4O4 — CID 156686285

IUPAC4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]butanoic acid
SMILESCc1nnc(CCC(CCc2nnc(C)o2)C(=O)O)o1
InChIInChI=1S/C12H16N4O4/c1-7-13-15-10(19-7)5-3-9(12(17)18)4-6-11-16-14-8(2)20-11/h9H,3-6H2,1-2H3,(H,17,18)
InChIKeyLIIFBFOECKLHIR-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.34
Rot. Bonds7

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

4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]butanoic acid (PubChem CID 156686285) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]butanoic acid.

Molecular Properties

Compound Name4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]butanoic acid
PubChem CID156686285
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC Name4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]butanoic acid
SMILESCc1nnc(CCC(CCc2nnc(C)o2)C(=O)O)o1
InChIInChI=1S/C12H16N4O4/c1-7-13-15-10(19-7)5-3-9(12(17)18)4-6-11-16-14-8(2)20-11/h9H,3-6H2,1-2H3,(H,17,18)
InChIKeyLIIFBFOECKLHIR-UHFFFAOYSA-N
XLogP1.34
TPSA115.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]butanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-(aminomethyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid
CID 82406292
2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid
CID 82125128
3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butan-2-one
CID 15582700
5-(5-methyl-1,3,4-oxadiazol-2-yl)pentanoic acid
CID 60911040
2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]pentanoic acid
CID 43631645
sodium 2-(5-methyl-1,3,4-oxadiazol-2-yl)acetate
CID 135389336
2-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoic acid
CID 62637074
2-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azetidin-3-yl]propanoic acid
CID 116683828
methyl N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
CID 110320279
ethane;7-(5-methyl-1,3,4-oxadiazol-2-yl)heptan-2-one
CID 167517152
N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]propanamide
CID 110320204
ethyl N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
CID 110320280

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]butanoic acid?
The IUPAC name of 4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]butanoic acid (CID 156686285) is 4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]butanoic acid.
What is the SMILES notation for 4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]butanoic acid?
The canonical SMILES for 4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]butanoic acid is Cc1nnc(CCC(CCc2nnc(C)o2)C(=O)O)o1.
What is the InChIKey of 4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]butanoic acid?
The InChIKey is LIIFBFOECKLHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4/c1-7-13-15-10(19-7)5-3-9(12(17)18)4-6-11-16-14-8(2)20-11/h9H,3-6H2,1-2H3,(H,17,18).
What are the key properties of 4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]butanoic acid?
4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]butanoic acid has a molecular weight of 280.28 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]butanoic acid is sourced from PubChem (CID 156686285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).