2-[[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide

C11H11N5O4 — CID 107436119

IUPAC2-[[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide
SMILESNC(=O)CNCc1nc(-c2ccccc2[N+](=O)[O-])no1
InChIInChI=1S/C11H11N5O4/c12-9(17)5-13-6-10-14-11(15-20-10)7-3-1-2-4-8(7)16(18)19/h1-4,13H,5-6H2,(H2,12,17)
InChIKeyLJZNIGIMJZTHRU-UHFFFAOYSA-N
MW277.24 g/mol
LogP0.22
Rot. Bonds6

About 2-[[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide

2-[[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide (PubChem CID 107436119) has the molecular formula C11H11N5O4 and a molecular weight of 277.24 g/mol. Its IUPAC name is 2-[[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide.

Molecular Properties

Compound Name2-[[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide
PubChem CID107436119
Molecular FormulaC11H11N5O4
Molecular Weight277.24 g/mol
Exact Mass277.08
IUPAC Name2-[[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide
SMILESNC(=O)CNCc1nc(-c2ccccc2[N+](=O)[O-])no1
InChIInChI=1S/C11H11N5O4/c12-9(17)5-13-6-10-14-11(15-20-10)7-3-1-2-4-8(7)16(18)19/h1-4,13H,5-6H2,(H2,12,17)
InChIKeyLJZNIGIMJZTHRU-UHFFFAOYSA-N
XLogP0.22
TPSA137.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-N-[[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 79262457
3-(2-nitrophenyl)-5-prop-2-enyl-1,2,4-oxadiazole
CID 70391910
4-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 63344930
2-methyl-4-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 62048144
2-[[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide
CID 107436593
3,3-dimethyl-1-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63351213
5-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 82847240
5-[(3-methylazetidin-3-yl)oxymethyl]-3-(2-nitrophenyl)-1,2,4-oxadiazole
CID 102655424
2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]acetic acid
CID 43465937
2-[(3-amino-1,2,4-oxadiazol-5-yl)methylamino]acetamide
CID 107436380
2-[(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)methylamino]acetamide
CID 107436223
2-[4-[5-(2-nitrophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328455

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide?
The IUPAC name of 2-[[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide (CID 107436119) is 2-[[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide.
What is the SMILES notation for 2-[[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide?
The canonical SMILES for 2-[[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide is NC(=O)CNCc1nc(-c2ccccc2[N+](=O)[O-])no1.
What is the InChIKey of 2-[[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide?
The InChIKey is LJZNIGIMJZTHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O4/c12-9(17)5-13-6-10-14-11(15-20-10)7-3-1-2-4-8(7)16(18)19/h1-4,13H,5-6H2,(H2,12,17).
What are the key properties of 2-[[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide?
2-[[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide has a molecular weight of 277.24 g/mol, XLogP of 0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide is sourced from PubChem (CID 107436119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).