2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-3-nitrophenyl)acetamide

C18H16N4O5 — CID 46274716

IUPAC2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-3-nitrophenyl)acetamide
SMILESCOc1ccc(-c2noc(CC(=O)Nc3cccc([N+](=O)[O-])c3C)n2)cc1
InChIInChI=1S/C18H16N4O5/c1-11-14(4-3-5-15(11)22(24)25)19-16(23)10-17-20-18(21-27-17)12-6-8-13(26-2)9-7-12/h3-9H,10H2,1-2H3,(H,19,23)
InChIKeyVNZFPDMQOACPFG-UHFFFAOYSA-N
MW368.35 g/mol
LogP3.14
Rot. Bonds6

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

2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-3-nitrophenyl)acetamide (PubChem CID 46274716) has the molecular formula C18H16N4O5 and a molecular weight of 368.35 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-3-nitrophenyl)acetamide
PubChem CID46274716
Molecular FormulaC18H16N4O5
Molecular Weight368.35 g/mol
Exact Mass368.11
IUPAC Name2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-3-nitrophenyl)acetamide
SMILESCOc1ccc(-c2noc(CC(=O)Nc3cccc([N+](=O)[O-])c3C)n2)cc1
InChIInChI=1S/C18H16N4O5/c1-11-14(4-3-5-15(11)22(24)25)19-16(23)10-17-20-18(21-27-17)12-6-8-13(26-2)9-7-12/h3-9H,10H2,1-2H3,(H,19,23)
InChIKeyVNZFPDMQOACPFG-UHFFFAOYSA-N
XLogP3.14
TPSA120.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 53.14
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

N-(4-chloro-2-methylphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110420937
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-3-nitro-N-prop-2-enylbenzamide
CID 8874592
N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-(2-nitrophenoxy)acetamide
CID 30331766
N-(5-ethyl-2-methylphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110425375
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methyl-3-nitrophenyl)piperidine-4-carboxamide
CID 38152069
N-(2-ethylphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 20851576
3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-nitrophenyl)propanamide
CID 3485886
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(6-methoxy-3-pyridinyl)acetamide
CID 110620811
3,5-dimethoxy-N-[3-(2-methyl-3-nitroanilino)-3-oxopropyl]benzamide
CID 17191720
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 52815756
N-(3-chloro-2-methylphenyl)-2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 25238000
N-[2-[[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetyl]amino]ethyl]benzamide
CID 110630603

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-3-nitrophenyl)acetamide?
The IUPAC name of 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-3-nitrophenyl)acetamide (CID 46274716) is 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-3-nitrophenyl)acetamide.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-3-nitrophenyl)acetamide?
The canonical SMILES for 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-3-nitrophenyl)acetamide is COc1ccc(-c2noc(CC(=O)Nc3cccc([N+](=O)[O-])c3C)n2)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-3-nitrophenyl)acetamide?
The InChIKey is VNZFPDMQOACPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O5/c1-11-14(4-3-5-15(11)22(24)25)19-16(23)10-17-20-18(21-27-17)12-6-8-13(26-2)9-7-12/h3-9H,10H2,1-2H3,(H,19,23).
What are the key properties of 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-3-nitrophenyl)acetamide?
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-3-nitrophenyl)acetamide has a molecular weight of 368.35 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-3-nitrophenyl)acetamide is sourced from PubChem (CID 46274716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).