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

C16H12N4O5 — CID 19328455

IUPAC2-[4-[5-(2-nitrophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(-c2noc(-c3ccccc3[N+](=O)[O-])n2)cc1
InChIInChI=1S/C16H12N4O5/c17-14(21)9-24-11-7-5-10(6-8-11)15-18-16(25-19-15)12-3-1-2-4-13(12)20(22)23/h1-8H,9H2,(H2,17,21)
InChIKeyGQIPQZCTICIOQA-UHFFFAOYSA-N
MW340.30 g/mol
LogP2.18
Rot. Bonds6

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

2-[4-[5-(2-nitrophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide (PubChem CID 19328455) has the molecular formula C16H12N4O5 and a molecular weight of 340.30 g/mol. Its IUPAC name is 2-[4-[5-(2-nitrophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[5-(2-nitrophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
PubChem CID19328455
Molecular FormulaC16H12N4O5
Molecular Weight340.30 g/mol
Exact Mass340.08
IUPAC Name2-[4-[5-(2-nitrophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(-c2noc(-c3ccccc3[N+](=O)[O-])n2)cc1
InChIInChI=1S/C16H12N4O5/c17-14(21)9-24-11-7-5-10(6-8-11)15-18-16(25-19-15)12-3-1-2-4-13(12)20(22)23/h1-8H,9H2,(H2,17,21)
InChIKeyGQIPQZCTICIOQA-UHFFFAOYSA-N
XLogP2.18
TPSA134.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
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-[4-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328496
2-[4-[5-(2,3-dichlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328690
3-(4-chlorophenyl)-5-(2-nitrophenyl)-1,2,4-oxadiazole
CID 3482072
2-[4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328461
2-[4-[5-[5-[(4-nitrophenoxy)methyl]furan-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328542
2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328748
N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-(2-nitrophenoxy)acetamide
CID 30331766
2-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328474
2-[4-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 135577426
2-[4-[5-(4-iodo-1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328449
3-[5-(2-nitrophenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 28942061
2-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328687

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(2-nitrophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide?
The IUPAC name of 2-[4-[5-(2-nitrophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide (CID 19328455) is 2-[4-[5-(2-nitrophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[5-(2-nitrophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[5-(2-nitrophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide is NC(=O)COc1ccc(-c2noc(-c3ccccc3[N+](=O)[O-])n2)cc1.
What is the InChIKey of 2-[4-[5-(2-nitrophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide?
The InChIKey is GQIPQZCTICIOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O5/c17-14(21)9-24-11-7-5-10(6-8-11)15-18-16(25-19-15)12-3-1-2-4-13(12)20(22)23/h1-8H,9H2,(H2,17,21).
What are the key properties of 2-[4-[5-(2-nitrophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide?
2-[4-[5-(2-nitrophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide has a molecular weight of 340.30 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(2-nitrophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide is sourced from PubChem (CID 19328455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).