[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 3-acetamido-3-(4-methylphenyl)propanoate

C19H25N3O4 — CID 55533426

IUPAC[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 3-acetamido-3-(4-methylphenyl)propanoate
SMILESCC(=O)NC(CC(=O)OCc1nc(CC(C)C)no1)c1ccc(C)cc1
InChIInChI=1S/C19H25N3O4/c1-12(2)9-17-21-18(26-22-17)11-25-19(24)10-16(20-14(4)23)15-7-5-13(3)6-8-15/h5-8,12,16H,9-11H2,1-4H3,(H,20,23)
InChIKeyNFUMVNQUZJGPSP-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.89
Rot. Bonds8

About [3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 3-acetamido-3-(4-methylphenyl)propanoate

[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 3-acetamido-3-(4-methylphenyl)propanoate (PubChem CID 55533426) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is [3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 3-acetamido-3-(4-methylphenyl)propanoate.

Molecular Properties

Compound Name[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 3-acetamido-3-(4-methylphenyl)propanoate
PubChem CID55533426
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 3-acetamido-3-(4-methylphenyl)propanoate
SMILESCC(=O)NC(CC(=O)OCc1nc(CC(C)C)no1)c1ccc(C)cc1
InChIInChI=1S/C19H25N3O4/c1-12(2)9-17-21-18(26-22-17)11-25-19(24)10-16(20-14(4)23)15-7-5-13(3)6-8-15/h5-8,12,16H,9-11H2,1-4H3,(H,20,23)
InChIKeyNFUMVNQUZJGPSP-UHFFFAOYSA-N
XLogP2.89
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 3-acetamido-3-(4-methylphenyl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 3-acetamido-3-(4-methylphenyl)propanoate?
The IUPAC name of [3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 3-acetamido-3-(4-methylphenyl)propanoate (CID 55533426) is [3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 3-acetamido-3-(4-methylphenyl)propanoate.
What is the SMILES notation for [3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 3-acetamido-3-(4-methylphenyl)propanoate?
The canonical SMILES for [3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 3-acetamido-3-(4-methylphenyl)propanoate is CC(=O)NC(CC(=O)OCc1nc(CC(C)C)no1)c1ccc(C)cc1.
What is the InChIKey of [3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 3-acetamido-3-(4-methylphenyl)propanoate?
The InChIKey is NFUMVNQUZJGPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-12(2)9-17-21-18(26-22-17)11-25-19(24)10-16(20-14(4)23)15-7-5-13(3)6-8-15/h5-8,12,16H,9-11H2,1-4H3,(H,20,23).
What are the key properties of [3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 3-acetamido-3-(4-methylphenyl)propanoate?
[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 3-acetamido-3-(4-methylphenyl)propanoate has a molecular weight of 359.43 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 3-acetamido-3-(4-methylphenyl)propanoate is sourced from PubChem (CID 55533426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).