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

C11H10ClN3O3 — CID 43465937

IUPAC2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]acetic acid
SMILESO=C(O)CNCc1nc(-c2ccccc2Cl)no1
InChIInChI=1S/C11H10ClN3O3/c12-8-4-2-1-3-7(8)11-14-9(18-15-11)5-13-6-10(16)17/h1-4,13H,5-6H2,(H,16,17)
InChIKeyAFNQWEYYQPGJTC-UHFFFAOYSA-N
MW267.67 g/mol
LogP1.56
Rot. Bonds5

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

2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]acetic acid (PubChem CID 43465937) has the molecular formula C11H10ClN3O3 and a molecular weight of 267.67 g/mol. Its IUPAC name is 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]acetic acid
PubChem CID43465937
Molecular FormulaC11H10ClN3O3
Molecular Weight267.67 g/mol
Exact Mass267.04
IUPAC Name2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]acetic acid
SMILESO=C(O)CNCc1nc(-c2ccccc2Cl)no1
InChIInChI=1S/C11H10ClN3O3/c12-8-4-2-1-3-7(8)11-14-9(18-15-11)5-13-6-10(16)17/h1-4,13H,5-6H2,(H,16,17)
InChIKeyAFNQWEYYQPGJTC-UHFFFAOYSA-N
XLogP1.56
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.67
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone
CID 63345476
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 6492197
methyl 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474434
(2R)-2-amino-N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 124500623
(3R)-3-benzyl-4-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-4-oxobutanoic acid
CID 67413965
3-benzylsulfanyl-N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 50875133
3-[3-(2,3-dichlorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 17122277
3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]thiophene-2-carboxylic acid
CID 131903404
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxybenzamide
CID 4970836
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 99955993
(2R)-2-(2-chlorophenoxy)-N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 97267412
2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 80740466

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]acetic acid?
The IUPAC name of 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]acetic acid (CID 43465937) is 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]acetic acid.
What is the SMILES notation for 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]acetic acid?
The canonical SMILES for 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]acetic acid is O=C(O)CNCc1nc(-c2ccccc2Cl)no1.
What is the InChIKey of 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]acetic acid?
The InChIKey is AFNQWEYYQPGJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O3/c12-8-4-2-1-3-7(8)11-14-9(18-15-11)5-13-6-10(16)17/h1-4,13H,5-6H2,(H,16,17).
What are the key properties of 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]acetic acid?
2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]acetic acid has a molecular weight of 267.67 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]acetic acid is sourced from PubChem (CID 43465937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).