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

C19H19N5O5 — CID 27241090

IUPACN-(3-methoxyphenyl)-2-[methyl-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetamide
SMILESCOc1cccc(NC(=O)CN(C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1
InChIInChI=1S/C19H19N5O5/c1-23(11-17(25)20-14-4-3-5-16(10-14)28-2)12-18-21-22-19(29-18)13-6-8-15(9-7-13)24(26)27/h3-10H,11-12H2,1-2H3,(H,20,25)
InChIKeyDHOMEABGUGRBNJ-UHFFFAOYSA-N
MW397.39 g/mol
LogP2.72
Rot. Bonds8

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

N-(3-methoxyphenyl)-2-[methyl-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetamide (PubChem CID 27241090) has the molecular formula C19H19N5O5 and a molecular weight of 397.39 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[methyl-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[methyl-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetamide
PubChem CID27241090
Molecular FormulaC19H19N5O5
Molecular Weight397.39 g/mol
Exact Mass397.14
IUPAC NameN-(3-methoxyphenyl)-2-[methyl-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetamide
SMILESCOc1cccc(NC(=O)CN(C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1
InChIInChI=1S/C19H19N5O5/c1-23(11-17(25)20-14-4-3-5-16(10-14)28-2)12-18-21-22-19(29-18)13-6-8-15(9-7-13)24(26)27/h3-10H,11-12H2,1-2H3,(H,20,25)
InChIKeyDHOMEABGUGRBNJ-UHFFFAOYSA-N
XLogP2.72
TPSA123.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methoxyphenyl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110335116
N-(3-methoxyphenyl)-2-[methyl-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]acetamide
CID 9198763
1-[3-(difluoromethoxy)phenyl]-N-methyl-N-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]methanamine
CID 47551172
2-[(4-methoxyphenyl)methyl-methylamino]-N-(3-nitrophenyl)acetamide
CID 8761647
N-(3-methoxyphenyl)-2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]acetamide
CID 9012039
2-[(3-methoxyphenyl)methylsulfanylmethyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole
CID 49153827
N-(3-methoxyphenyl)-2-[methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]amino]acetamide
CID 8555182
3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-methoxy-4-nitrophenyl)propanamide
CID 38300922
N-(4-methoxyphenyl)-2-[methyl-[2-(3-nitroanilino)-2-oxoethyl]amino]acetamide
CID 2658350
2-[(3-fluorophenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8909173
2-[[2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 35300406
N-(3-fluorophenyl)-2-[methyl-[(4-nitrophenyl)methyl]amino]acetamide
CID 9250556

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[methyl-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[methyl-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetamide (CID 27241090) is N-(3-methoxyphenyl)-2-[methyl-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[methyl-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[methyl-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetamide is COc1cccc(NC(=O)CN(C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[methyl-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetamide?
The InChIKey is DHOMEABGUGRBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O5/c1-23(11-17(25)20-14-4-3-5-16(10-14)28-2)12-18-21-22-19(29-18)13-6-8-15(9-7-13)24(26)27/h3-10H,11-12H2,1-2H3,(H,20,25).
What are the key properties of N-(3-methoxyphenyl)-2-[methyl-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetamide?
N-(3-methoxyphenyl)-2-[methyl-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetamide has a molecular weight of 397.39 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[methyl-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetamide is sourced from PubChem (CID 27241090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).