2-[3-(5-methylfuran-2-yl)-5-(2-morpholin-4-ylphenyl)-1,2,4-triazol-1-yl]acetic acid

C19H20N4O4 — CID 74243415

IUPAC2-[3-(5-methylfuran-2-yl)-5-(2-morpholin-4-ylphenyl)-1,2,4-triazol-1-yl]acetic acid
SMILESCc1ccc(-c2nc(-c3ccccc3N3CCOCC3)n(CC(=O)O)n2)o1
InChIInChI=1S/C19H20N4O4/c1-13-6-7-16(27-13)18-20-19(23(21-18)12-17(24)25)14-4-2-3-5-15(14)22-8-10-26-11-9-22/h2-7H,8-12H2,1H3,(H,24,25)
InChIKeyVPKQYHZDWINMJG-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.43
Rot. Bonds5

About 2-[3-(5-methylfuran-2-yl)-5-(2-morpholin-4-ylphenyl)-1,2,4-triazol-1-yl]acetic acid

2-[3-(5-methylfuran-2-yl)-5-(2-morpholin-4-ylphenyl)-1,2,4-triazol-1-yl]acetic acid (PubChem CID 74243415) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-[3-(5-methylfuran-2-yl)-5-(2-morpholin-4-ylphenyl)-1,2,4-triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(5-methylfuran-2-yl)-5-(2-morpholin-4-ylphenyl)-1,2,4-triazol-1-yl]acetic acid
PubChem CID74243415
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name2-[3-(5-methylfuran-2-yl)-5-(2-morpholin-4-ylphenyl)-1,2,4-triazol-1-yl]acetic acid
SMILESCc1ccc(-c2nc(-c3ccccc3N3CCOCC3)n(CC(=O)O)n2)o1
InChIInChI=1S/C19H20N4O4/c1-13-6-7-16(27-13)18-20-19(23(21-18)12-17(24)25)14-4-2-3-5-15(14)22-8-10-26-11-9-22/h2-7H,8-12H2,1H3,(H,24,25)
InChIKeyVPKQYHZDWINMJG-UHFFFAOYSA-N
XLogP2.43
TPSA93.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[3-(5-methylfuran-2-yl)-5-(2-morpholin-4-ylphenyl)-1,2,4-triazol-1-yl]acetic acid 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

ethyl 5-hydroxy-1-methyl-2-(2-morpholin-4-ylphenyl)-6-oxopyrimidine-4-carboxylate
CID 54691437
2-(3,5-diphenyl-1,2,4-triazol-1-yl)-1-morpholin-4-ylethanone
CID 654746
4-[2-(2-methylphenyl)phenyl]morpholine
CID 173334171
2-(2-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxylic acid
CID 67112516
3-(2-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117435513
[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone
CID 29202076
1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-carboxylic acid
CID 43141385
2-(2-morpholin-4-ylphenyl)isoindole-1,3-dione
CID 2813240
2-(2-morpholin-4-ylbenzimidazol-1-yl)acetic acid
CID 46784645
5-methyl-1-(2-morpholin-4-ylphenyl)triazole-4-carboxylic acid
CID 137375571
2-(4-methyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetic acid
CID 10923044
3-(5-methylfuran-2-yl)-N-(2-morpholin-4-ylethyl)-1-phenylpyrazole-4-carboxamide
CID 51159400

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-methylfuran-2-yl)-5-(2-morpholin-4-ylphenyl)-1,2,4-triazol-1-yl]acetic acid?
The IUPAC name of 2-[3-(5-methylfuran-2-yl)-5-(2-morpholin-4-ylphenyl)-1,2,4-triazol-1-yl]acetic acid (CID 74243415) is 2-[3-(5-methylfuran-2-yl)-5-(2-morpholin-4-ylphenyl)-1,2,4-triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(5-methylfuran-2-yl)-5-(2-morpholin-4-ylphenyl)-1,2,4-triazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-(5-methylfuran-2-yl)-5-(2-morpholin-4-ylphenyl)-1,2,4-triazol-1-yl]acetic acid is Cc1ccc(-c2nc(-c3ccccc3N3CCOCC3)n(CC(=O)O)n2)o1.
What is the InChIKey of 2-[3-(5-methylfuran-2-yl)-5-(2-morpholin-4-ylphenyl)-1,2,4-triazol-1-yl]acetic acid?
The InChIKey is VPKQYHZDWINMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-13-6-7-16(27-13)18-20-19(23(21-18)12-17(24)25)14-4-2-3-5-15(14)22-8-10-26-11-9-22/h2-7H,8-12H2,1H3,(H,24,25).
What are the key properties of 2-[3-(5-methylfuran-2-yl)-5-(2-morpholin-4-ylphenyl)-1,2,4-triazol-1-yl]acetic acid?
2-[3-(5-methylfuran-2-yl)-5-(2-morpholin-4-ylphenyl)-1,2,4-triazol-1-yl]acetic acid has a molecular weight of 368.39 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-methylfuran-2-yl)-5-(2-morpholin-4-ylphenyl)-1,2,4-triazol-1-yl]acetic acid is sourced from PubChem (CID 74243415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).