methyl 2-[5-(4-methoxybenzoyl)-4-phenyltriazol-1-yl]acetate

C19H17N3O4 — CID 126087414

IUPACmethyl 2-[5-(4-methoxybenzoyl)-4-phenyltriazol-1-yl]acetate
SMILESCOC(=O)Cn1nnc(-c2ccccc2)c1C(=O)c1ccc(OC)cc1
InChIInChI=1S/C19H17N3O4/c1-25-15-10-8-14(9-11-15)19(24)18-17(13-6-4-3-5-7-13)20-21-22(18)12-16(23)26-2/h3-11H,12H2,1-2H3
InChIKeyFYSOEHMZDCZDJH-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.36
Rot. Bonds6

About methyl 2-[5-(4-methoxybenzoyl)-4-phenyltriazol-1-yl]acetate

methyl 2-[5-(4-methoxybenzoyl)-4-phenyltriazol-1-yl]acetate (PubChem CID 126087414) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is methyl 2-[5-(4-methoxybenzoyl)-4-phenyltriazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(4-methoxybenzoyl)-4-phenyltriazol-1-yl]acetate
PubChem CID126087414
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Namemethyl 2-[5-(4-methoxybenzoyl)-4-phenyltriazol-1-yl]acetate
SMILESCOC(=O)Cn1nnc(-c2ccccc2)c1C(=O)c1ccc(OC)cc1
InChIInChI=1S/C19H17N3O4/c1-25-15-10-8-14(9-11-15)19(24)18-17(13-6-4-3-5-7-13)20-21-22(18)12-16(23)26-2/h3-11H,12H2,1-2H3
InChIKeyFYSOEHMZDCZDJH-UHFFFAOYSA-N
XLogP2.36
TPSA83.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[5-(4-methoxybenzoyl)-4-phenyltriazol-1-yl]acetate 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

4-[(1S)-1-[[3-[(4-methoxyphenyl)methyl]-5-phenyltriazole-4-carbonyl]amino]ethyl]benzoic acid
CID 155528854
methyl 2-[5-amino-4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]acetate
CID 82202834
methyl 2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetate
CID 43839948
(4-methoxyphenyl)-[3-phenyl-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanone
CID 162692086
ethyl 2-[5-[3-(2-ethoxy-2-oxoethyl)-5-phenyltriazol-4-yl]-4-phenyltriazol-1-yl]acetate
CID 102307382
5-iodo-1-[(4-methoxyphenyl)methyl]-4-phenyltriazole
CID 163323695
(4-methoxyphenyl)-[4-(4-phenylphenoxy)phenyl]methanone
CID 146206951
N-(4,5-diphenyltriazol-1-yl)-2-(4-methoxyphenyl)acetamide
CID 12568896
(4-methoxyphenyl)-(1,3,5-triphenylpyrazol-4-yl)methanone
CID 10884492
2-(4,5-diphenyltriazol-1-yl)-N-methylacetamide
CID 59363214
1-heptyl-5-(4-methoxyphenyl)-4-phenyltriazole
CID 102087796
1-benzyl-5-chloro-4-(4-methoxyphenyl)triazole
CID 72701213

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(4-methoxybenzoyl)-4-phenyltriazol-1-yl]acetate?
The IUPAC name of methyl 2-[5-(4-methoxybenzoyl)-4-phenyltriazol-1-yl]acetate (CID 126087414) is methyl 2-[5-(4-methoxybenzoyl)-4-phenyltriazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[5-(4-methoxybenzoyl)-4-phenyltriazol-1-yl]acetate?
The canonical SMILES for methyl 2-[5-(4-methoxybenzoyl)-4-phenyltriazol-1-yl]acetate is COC(=O)Cn1nnc(-c2ccccc2)c1C(=O)c1ccc(OC)cc1.
What is the InChIKey of methyl 2-[5-(4-methoxybenzoyl)-4-phenyltriazol-1-yl]acetate?
The InChIKey is FYSOEHMZDCZDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-25-15-10-8-14(9-11-15)19(24)18-17(13-6-4-3-5-7-13)20-21-22(18)12-16(23)26-2/h3-11H,12H2,1-2H3.
What are the key properties of methyl 2-[5-(4-methoxybenzoyl)-4-phenyltriazol-1-yl]acetate?
methyl 2-[5-(4-methoxybenzoyl)-4-phenyltriazol-1-yl]acetate has a molecular weight of 351.36 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(4-methoxybenzoyl)-4-phenyltriazol-1-yl]acetate is sourced from PubChem (CID 126087414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).