2-[2-[4-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethoxy]acetic acid

C12H11N3O5 — CID 61329014

IUPAC2-[2-[4-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)Nc1ccc(-c2nnco2)cc1
InChIInChI=1S/C12H11N3O5/c16-10(5-19-6-11(17)18)14-9-3-1-8(2-4-9)12-15-13-7-20-12/h1-4,7H,5-6H2,(H,14,16)(H,17,18)
InChIKeyNBEKUAJTFCGMAD-UHFFFAOYSA-N
MW277.24 g/mol
LogP0.78
Rot. Bonds6

About 2-[2-[4-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethoxy]acetic acid

2-[2-[4-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethoxy]acetic acid (PubChem CID 61329014) has the molecular formula C12H11N3O5 and a molecular weight of 277.24 g/mol. Its IUPAC name is 2-[2-[4-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[4-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethoxy]acetic acid
PubChem CID61329014
Molecular FormulaC12H11N3O5
Molecular Weight277.24 g/mol
Exact Mass277.07
IUPAC Name2-[2-[4-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)Nc1ccc(-c2nnco2)cc1
InChIInChI=1S/C12H11N3O5/c16-10(5-19-6-11(17)18)14-9-3-1-8(2-4-9)12-15-13-7-20-12/h1-4,7H,5-6H2,(H,14,16)(H,17,18)
InChIKeyNBEKUAJTFCGMAD-UHFFFAOYSA-N
XLogP0.78
TPSA114.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556222
N-[4-(dimethylamino)phenyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 36565038
2-(cyclopropylmethylamino)-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 61274985
N-(3,5-difluorophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 42368891
4-[[2-(carboxymethoxy)acetyl]amino]benzoic acid
CID 61327264
N-(3-fluoro-4-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7555932
N-(4-bromo-3-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556162
N-(3,4-diethoxyphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556124
2-bromo-2-methyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 114328432
[4-(1,3,4-oxadiazol-2-yl)phenyl]thiourea
CID 169355998
2-[[4-(1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60940960
3-[3-(1,3,4-oxadiazol-2-yl)anilino]-3-oxopropanoic acid
CID 55049776

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[4-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethoxy]acetic acid (CID 61329014) is 2-[2-[4-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[4-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[4-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethoxy]acetic acid is O=C(O)COCC(=O)Nc1ccc(-c2nnco2)cc1.
What is the InChIKey of 2-[2-[4-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethoxy]acetic acid?
The InChIKey is NBEKUAJTFCGMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O5/c16-10(5-19-6-11(17)18)14-9-3-1-8(2-4-9)12-15-13-7-20-12/h1-4,7H,5-6H2,(H,14,16)(H,17,18).
What are the key properties of 2-[2-[4-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethoxy]acetic acid?
2-[2-[4-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethoxy]acetic acid has a molecular weight of 277.24 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61329014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).