2-(4-methoxy-3,5-dimethylphenyl)-2-[methyl-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]amino]acetic acid

C19H27N3O4 — CID 46995566

About 2-(4-methoxy-3,5-dimethylphenyl)-2-[methyl-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]amino]acetic acid

2-(4-methoxy-3,5-dimethylphenyl)-2-[methyl-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]amino]acetic acid (PubChem CID 46995566) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is 2-(4-methoxy-3,5-dimethylphenyl)-2-[methyl-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]amino]acetic acid.

Molecular Properties

• Compound Name: 2-(4-methoxy-3,5-dimethylphenyl)-2-[methyl-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]amino]acetic acid
• PubChem CID: 46995566
• Molecular Formula: C19H27N3O4
• Molecular Weight: 361.44 g/mol
• Exact Mass: 361.20
• IUPAC Name: 2-(4-methoxy-3,5-dimethylphenyl)-2-[methyl-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]amino]acetic acid
• SMILES: COc1c(C)cc(C(C(=O)O)N(C)CCc2noc(C(C)C)n2)cc1C
• InChI: InChI=1S/C19H27N3O4/c1-11(2)18-20-15(21-26-18)7-8-22(5)16(19(23)24)14-9-12(3)17(25-6)13(4)10-14/h9-11,16H,7-8H2,1-6H3,(H,23,24)
• InChIKey: BGQMUMZGAHYGCC-UHFFFAOYSA-N
• XLogP: 3.12
• TPSA: 88.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.44
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3,5-dimethylphenyl)-2-[methyl-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]amino]acetic acid?

The IUPAC name of 2-(4-methoxy-3,5-dimethylphenyl)-2-[methyl-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]amino]acetic acid (CID 46995566) is 2-(4-methoxy-3,5-dimethylphenyl)-2-[methyl-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]amino]acetic acid.

What is the SMILES notation for 2-(4-methoxy-3,5-dimethylphenyl)-2-[methyl-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]amino]acetic acid?

The canonical SMILES for 2-(4-methoxy-3,5-dimethylphenyl)-2-[methyl-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]amino]acetic acid is COc1c(C)cc(C(C(=O)O)N(C)CCc2noc(C(C)C)n2)cc1C.

What is the InChIKey of 2-(4-methoxy-3,5-dimethylphenyl)-2-[methyl-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]amino]acetic acid?

The InChIKey is BGQMUMZGAHYGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-11(2)18-20-15(21-26-18)7-8-22(5)16(19(23)24)14-9-12(3)17(25-6)13(4)10-14/h9-11,16H,7-8H2,1-6H3,(H,23,24).

What are the key properties of 2-(4-methoxy-3,5-dimethylphenyl)-2-[methyl-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]amino]acetic acid?

2-(4-methoxy-3,5-dimethylphenyl)-2-[methyl-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]amino]acetic acid has a molecular weight of 361.44 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methoxy-3,5-dimethylphenyl)-2-[methyl-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]amino]acetic acid is sourced from PubChem (CID 46995566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).