4-methoxy-N-[4-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]benzamide

C20H17N5O4 — CID 46352559

IUPAC4-methoxy-N-[4-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(OCc3cc(=O)n4[nH]cnc4n3)cc2)cc1
InChIInChI=1S/C20H17N5O4/c1-28-16-6-2-13(3-7-16)19(27)23-14-4-8-17(9-5-14)29-11-15-10-18(26)25-20(24-15)21-12-22-25/h2-10,12H,11H2,1H3,(H,23,27)(H,21,22,24)
InChIKeyUAFBIUDMQLNEJB-UHFFFAOYSA-N
MW391.39 g/mol
LogP2.26
Rot. Bonds6

About 4-methoxy-N-[4-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]benzamide

4-methoxy-N-[4-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]benzamide (PubChem CID 46352559) has the molecular formula C20H17N5O4 and a molecular weight of 391.39 g/mol. Its IUPAC name is 4-methoxy-N-[4-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[4-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]benzamide
PubChem CID46352559
Molecular FormulaC20H17N5O4
Molecular Weight391.39 g/mol
Exact Mass391.13
IUPAC Name4-methoxy-N-[4-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(OCc3cc(=O)n4[nH]cnc4n3)cc2)cc1
InChIInChI=1S/C20H17N5O4/c1-28-16-6-2-13(3-7-16)19(27)23-14-4-8-17(9-5-14)29-11-15-10-18(26)25-20(24-15)21-12-22-25/h2-10,12H,11H2,1H3,(H,23,27)(H,21,22,24)
InChIKeyUAFBIUDMQLNEJB-UHFFFAOYSA-N
XLogP2.26
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-methoxy-N-[4-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]benzamide 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

5-[[4-(methylamino)phenoxy]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 61027727
4-methoxy-N-[4-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]benzamide
CID 50748719
N-(4-methoxyphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9043458
N-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide
CID 46355928
4-methoxy-N-[3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide
CID 50802599
(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl 4-[(4-methoxybenzoyl)amino]benzoate
CID 46343592
4-[[2-(4-methoxyphenoxy)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 2710766
N-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-methoxybenzamide
CID 60803282
N-(4-methoxyphenyl)-4-octoxybenzamide
CID 71343101
4-chloro-N-[4-[[2-(2-methylpropyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy]phenyl]benzamide
CID 46258390
3-chloro-N-[4-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]benzamide
CID 50744308
[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(4-methoxyphenoxy)acetate
CID 19179597

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]benzamide?
The IUPAC name of 4-methoxy-N-[4-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]benzamide (CID 46352559) is 4-methoxy-N-[4-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[4-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]benzamide?
The canonical SMILES for 4-methoxy-N-[4-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(OCc3cc(=O)n4[nH]cnc4n3)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[4-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]benzamide?
The InChIKey is UAFBIUDMQLNEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O4/c1-28-16-6-2-13(3-7-16)19(27)23-14-4-8-17(9-5-14)29-11-15-10-18(26)25-20(24-15)21-12-22-25/h2-10,12H,11H2,1H3,(H,23,27)(H,21,22,24).
What are the key properties of 4-methoxy-N-[4-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]benzamide?
4-methoxy-N-[4-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]benzamide has a molecular weight of 391.39 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]benzamide is sourced from PubChem (CID 46352559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).