N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(2-oxochromen-7-yl)oxyacetamide

C21H18N4O5 — CID 56524279

IUPACN-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(2-oxochromen-7-yl)oxyacetamide
SMILESCOc1ccc(-c2n[nH]c(CNC(=O)COc3ccc4ccc(=O)oc4c3)n2)cc1
InChIInChI=1S/C21H18N4O5/c1-28-15-6-3-14(4-7-15)21-23-18(24-25-21)11-22-19(26)12-29-16-8-2-13-5-9-20(27)30-17(13)10-16/h2-10H,11-12H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyKGVOEZCKVAPWLW-UHFFFAOYSA-N
MW406.40 g/mol
LogP2.28
Rot. Bonds7

About N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(2-oxochromen-7-yl)oxyacetamide

N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(2-oxochromen-7-yl)oxyacetamide (PubChem CID 56524279) has the molecular formula C21H18N4O5 and a molecular weight of 406.40 g/mol. Its IUPAC name is N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(2-oxochromen-7-yl)oxyacetamide
PubChem CID56524279
Molecular FormulaC21H18N4O5
Molecular Weight406.40 g/mol
Exact Mass406.13
IUPAC NameN-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(2-oxochromen-7-yl)oxyacetamide
SMILESCOc1ccc(-c2n[nH]c(CNC(=O)COc3ccc4ccc(=O)oc4c3)n2)cc1
InChIInChI=1S/C21H18N4O5/c1-28-15-6-3-14(4-7-15)21-23-18(24-25-21)11-22-19(26)12-29-16-8-2-13-5-9-20(27)30-17(13)10-16/h2-10H,11-12H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyKGVOEZCKVAPWLW-UHFFFAOYSA-N
XLogP2.28
TPSA119.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.40
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(2-oxochromen-7-yl)oxyacetamide 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-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 56524776
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 56524003
2-(4-bromo-2-fluorophenoxy)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]acetamide
CID 56524740
N-[(6-methyl-2-pyridinyl)methyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 87041237
N,N-dimethyl-3-[[[2-(2-oxochromen-7-yl)oxyacetyl]amino]methyl]benzamide
CID 46401405
3,5-difluoro-N-[2-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methylamino]-2-oxoethyl]benzamide
CID 56527800
3-methoxy-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-4-[2-(methylamino)-2-oxoethoxy]benzamide
CID 56523615
4-chloro-N-[4-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methylamino]-4-oxobutyl]benzamide
CID 56524620
7-amino-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]heptanamide;hydrochloride
CID 119776049
N-(3-amino-2-methylpropyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 119996034
1-amino-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]cyclohexane-1-carboxamide
CID 119319187
2-(2-oxochromen-7-yl)oxy-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide
CID 39503721

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(2-oxochromen-7-yl)oxyacetamide (CID 56524279) is N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(2-oxochromen-7-yl)oxyacetamide is COc1ccc(-c2n[nH]c(CNC(=O)COc3ccc4ccc(=O)oc4c3)n2)cc1.
What is the InChIKey of N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(2-oxochromen-7-yl)oxyacetamide?
The InChIKey is KGVOEZCKVAPWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O5/c1-28-15-6-3-14(4-7-15)21-23-18(24-25-21)11-22-19(26)12-29-16-8-2-13-5-9-20(27)30-17(13)10-16/h2-10H,11-12H2,1H3,(H,22,26)(H,23,24,25).
What are the key properties of N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(2-oxochromen-7-yl)oxyacetamide?
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(2-oxochromen-7-yl)oxyacetamide has a molecular weight of 406.40 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 56524279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).