2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]acetic acid

C6H9N3O3 — CID 116799732

IUPAC2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]acetic acid
SMILESCN(C)c1noc(CC(=O)O)n1
InChIInChI=1S/C6H9N3O3/c1-9(2)6-7-4(12-8-6)3-5(10)11/h3H2,1-2H3,(H,10,11)
InChIKeyWFEBGJREWRLCSN-UHFFFAOYSA-N
MW171.16 g/mol
LogP-0.24
Rot. Bonds3

About 2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]acetic acid

2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]acetic acid (PubChem CID 116799732) has the molecular formula C6H9N3O3 and a molecular weight of 171.16 g/mol. Its IUPAC name is 2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]acetic acid
PubChem CID116799732
Molecular FormulaC6H9N3O3
Molecular Weight171.16 g/mol
Exact Mass171.06
IUPAC Name2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]acetic acid
SMILESCN(C)c1noc(CC(=O)O)n1
InChIInChI=1S/C6H9N3O3/c1-9(2)6-7-4(12-8-6)3-5(10)11/h3H2,1-2H3,(H,10,11)
InChIKeyWFEBGJREWRLCSN-UHFFFAOYSA-N
XLogP-0.24
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]acetic acid
CID 115345512
2-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dimethylbutanoic acid
CID 116799727
2-[3-[(1S,2R)-2-methylcyclopropyl]-1,2,4-oxadiazol-5-yl]acetic acid
CID 124509489
5-(2-aminoethyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 75481048
3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-2-methyl-2-phenylpropanoic acid
CID 116799750
4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 116799790
2-(3-pentyl-1,2,4-oxadiazol-5-yl)acetic acid
CID 70237676
2-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 116799871
2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetic acid
CID 7017713
5-[(tert-butylamino)methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 115741669
2-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]acetic acid
CID 65134331
2-(3-formamido-1,2,4-oxadiazol-5-yl)acetic acid
CID 142811350

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]acetic acid?
The IUPAC name of 2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]acetic acid (CID 116799732) is 2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]acetic acid?
The canonical SMILES for 2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]acetic acid is CN(C)c1noc(CC(=O)O)n1.
What is the InChIKey of 2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]acetic acid?
The InChIKey is WFEBGJREWRLCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3/c1-9(2)6-7-4(12-8-6)3-5(10)11/h3H2,1-2H3,(H,10,11).
What are the key properties of 2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]acetic acid?
2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]acetic acid has a molecular weight of 171.16 g/mol, XLogP of -0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]acetic acid is sourced from PubChem (CID 116799732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).