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

C8H12N2O3 — CID 60911431

IUPAC4-(5-ethyl-1,3,4-oxadiazol-2-yl)butanoic acid
SMILESCCc1nnc(CCCC(=O)O)o1
InChIInChI=1S/C8H12N2O3/c1-2-6-9-10-7(13-6)4-3-5-8(11)12/h2-5H2,1H3,(H,11,12)
InChIKeyRNWVDXZPZIAITB-UHFFFAOYSA-N
MW184.19 g/mol
LogP1.04
Rot. Bonds5

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

4-(5-ethyl-1,3,4-oxadiazol-2-yl)butanoic acid (PubChem CID 60911431) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 4-(5-ethyl-1,3,4-oxadiazol-2-yl)butanoic acid.

Molecular Properties

Compound Name4-(5-ethyl-1,3,4-oxadiazol-2-yl)butanoic acid
PubChem CID60911431
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name4-(5-ethyl-1,3,4-oxadiazol-2-yl)butanoic acid
SMILESCCc1nnc(CCCC(=O)O)o1
InChIInChI=1S/C8H12N2O3/c1-2-6-9-10-7(13-6)4-3-5-8(11)12/h2-5H2,1H3,(H,11,12)
InChIKeyRNWVDXZPZIAITB-UHFFFAOYSA-N
XLogP1.04
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-amino-1,3,4-oxadiazol-2-yl)butanoic acid
CID 82468092
5-(5-methyl-1,3,4-oxadiazol-2-yl)pentanoic acid
CID 60911040
3-(5-ethyl-1,3,4-oxadiazol-2-yl)propan-1-ol
CID 82125053
4-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 60912310
4-[5-(2-ethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 114103590
4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 60912450
4-[5-(1-methylsulfonylethyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 104521010
5-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]pentanoic acid
CID 104538649
2,5-diethyl-1,3,4-oxadiazole
CID 11029848
4-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 54929386
4-[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 79217137
5-[5-(3-methoxybutyl)-1,3,4-oxadiazol-2-yl]pentanoic acid
CID 113382224

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-1,3,4-oxadiazol-2-yl)butanoic acid?
The IUPAC name of 4-(5-ethyl-1,3,4-oxadiazol-2-yl)butanoic acid (CID 60911431) is 4-(5-ethyl-1,3,4-oxadiazol-2-yl)butanoic acid.
What is the SMILES notation for 4-(5-ethyl-1,3,4-oxadiazol-2-yl)butanoic acid?
The canonical SMILES for 4-(5-ethyl-1,3,4-oxadiazol-2-yl)butanoic acid is CCc1nnc(CCCC(=O)O)o1.
What is the InChIKey of 4-(5-ethyl-1,3,4-oxadiazol-2-yl)butanoic acid?
The InChIKey is RNWVDXZPZIAITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-2-6-9-10-7(13-6)4-3-5-8(11)12/h2-5H2,1H3,(H,11,12).
What are the key properties of 4-(5-ethyl-1,3,4-oxadiazol-2-yl)butanoic acid?
4-(5-ethyl-1,3,4-oxadiazol-2-yl)butanoic acid has a molecular weight of 184.19 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-1,3,4-oxadiazol-2-yl)butanoic acid is sourced from PubChem (CID 60911431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).