2-(3-propyl-1,2,4-oxadiazol-5-yl)propanoic acid

C8H12N2O3 — CID 119027578

IUPAC2-(3-propyl-1,2,4-oxadiazol-5-yl)propanoic acid
SMILESCCCc1noc(C(C)C(=O)O)n1
InChIInChI=1S/C8H12N2O3/c1-3-4-6-9-7(13-10-6)5(2)8(11)12/h5H,3-4H2,1-2H3,(H,11,12)
InChIKeyWNXWMRXLYCBOQO-UHFFFAOYSA-N
MW184.19 g/mol
LogP1.21
Rot. Bonds4

About 2-(3-propyl-1,2,4-oxadiazol-5-yl)propanoic acid

2-(3-propyl-1,2,4-oxadiazol-5-yl)propanoic acid (PubChem CID 119027578) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 2-(3-propyl-1,2,4-oxadiazol-5-yl)propanoic acid.

Molecular Properties

Compound Name2-(3-propyl-1,2,4-oxadiazol-5-yl)propanoic acid
PubChem CID119027578
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name2-(3-propyl-1,2,4-oxadiazol-5-yl)propanoic acid
SMILESCCCc1noc(C(C)C(=O)O)n1
InChIInChI=1S/C8H12N2O3/c1-3-4-6-9-7(13-10-6)5(2)8(11)12/h5H,3-4H2,1-2H3,(H,11,12)
InChIKeyWNXWMRXLYCBOQO-UHFFFAOYSA-N
XLogP1.21
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(3-propyl-1,2,4-oxadiazol-5-yl)propanoate
CID 79020555
4-methyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)pentan-2-one
CID 63344414
1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 43670441
ethyl 2-(3-propyl-1,2,4-oxadiazol-5-yl)butanoate
CID 79020202
3-(3-butyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluorobutan-2-one
CID 79411932
3-butyl-5-propan-2-yl-1,2,4-oxadiazole
CID 123624408
3-[ethyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-methylpropanoic acid
CID 55122571
(2R)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]propanoic acid
CID 104875109
ethyl 2-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]propanoate
CID 102926997
5-(1-bromopropyl)-3-propyl-1,2,4-oxadiazole
CID 62854731
2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-3-one
CID 79964177
N-ethyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63348667

Frequently Asked Questions

What is the IUPAC name of 2-(3-propyl-1,2,4-oxadiazol-5-yl)propanoic acid?
The IUPAC name of 2-(3-propyl-1,2,4-oxadiazol-5-yl)propanoic acid (CID 119027578) is 2-(3-propyl-1,2,4-oxadiazol-5-yl)propanoic acid.
What is the SMILES notation for 2-(3-propyl-1,2,4-oxadiazol-5-yl)propanoic acid?
The canonical SMILES for 2-(3-propyl-1,2,4-oxadiazol-5-yl)propanoic acid is CCCc1noc(C(C)C(=O)O)n1.
What is the InChIKey of 2-(3-propyl-1,2,4-oxadiazol-5-yl)propanoic acid?
The InChIKey is WNXWMRXLYCBOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-3-4-6-9-7(13-10-6)5(2)8(11)12/h5H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 2-(3-propyl-1,2,4-oxadiazol-5-yl)propanoic acid?
2-(3-propyl-1,2,4-oxadiazol-5-yl)propanoic acid has a molecular weight of 184.19 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propyl-1,2,4-oxadiazol-5-yl)propanoic acid is sourced from PubChem (CID 119027578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).