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

C11H11N3O4 — CID 82363348

IUPAC2-amino-2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetic acid
SMILESCOc1ccc(-c2nnc(C(N)C(=O)O)o2)cc1
InChIInChI=1S/C11H11N3O4/c1-17-7-4-2-6(3-5-7)9-13-14-10(18-9)8(12)11(15)16/h2-5,8H,12H2,1H3,(H,15,16)
InChIKeyOGTSGVXWGJVUDW-UHFFFAOYSA-N
MW249.23 g/mol
LogP0.83
Rot. Bonds4

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

2-amino-2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetic acid (PubChem CID 82363348) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is 2-amino-2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetic acid
PubChem CID82363348
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Name2-amino-2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetic acid
SMILESCOc1ccc(-c2nnc(C(N)C(=O)O)o2)cc1
InChIInChI=1S/C11H11N3O4/c1-17-7-4-2-6(3-5-7)9-13-14-10(18-9)8(12)11(15)16/h2-5,8H,12H2,1H3,(H,15,16)
InChIKeyOGTSGVXWGJVUDW-UHFFFAOYSA-N
XLogP0.83
TPSA111.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-2-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]acetic acid
CID 82363345
(2S)-2-amino-3-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]propanoic acid
CID 162650291
2-amino-2-[5-(2,6-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetic acid
CID 82363351
(1S)-2-amino-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pentan-1-ol
CID 70129441
[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate
CID 144750250
2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid
CID 6472531
2-amino-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pentan-1-ol;hydrochloride
CID 70129437
(3R)-1-[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]pyrrolidine-3-carboxamide
CID 100840644
2-amino-2-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]acetic acid
CID 82363363
[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea
CID 71521216
2-(1-bromopropyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 62856196
5-(4-methoxyphenyl)-N-propan-2-yl-1,3,4-oxadiazole-2-carboxamide
CID 110392031

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetic acid?
The IUPAC name of 2-amino-2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetic acid (CID 82363348) is 2-amino-2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetic acid?
The canonical SMILES for 2-amino-2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetic acid is COc1ccc(-c2nnc(C(N)C(=O)O)o2)cc1.
What is the InChIKey of 2-amino-2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetic acid?
The InChIKey is OGTSGVXWGJVUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c1-17-7-4-2-6(3-5-7)9-13-14-10(18-9)8(12)11(15)16/h2-5,8H,12H2,1H3,(H,15,16).
What are the key properties of 2-amino-2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetic acid?
2-amino-2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetic acid has a molecular weight of 249.23 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetic acid is sourced from PubChem (CID 82363348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).