methyl 2-(benzylamino)-3-[4-(furan-2-ylmethylcarbamoyl)-1,3-oxazol-2-yl]propanoate

C20H21N3O5 — CID 20586492

IUPACmethyl 2-(benzylamino)-3-[4-(furan-2-ylmethylcarbamoyl)-1,3-oxazol-2-yl]propanoate
SMILESCOC(=O)C(Cc1nc(C(=O)NCc2ccco2)co1)NCc1ccccc1
InChIInChI=1S/C20H21N3O5/c1-26-20(25)16(21-11-14-6-3-2-4-7-14)10-18-23-17(13-28-18)19(24)22-12-15-8-5-9-27-15/h2-9,13,16,21H,10-12H2,1H3,(H,22,24)
InChIKeyIPDWEZBVIWGHFD-UHFFFAOYSA-N
MW383.40 g/mol
LogP2.07
Rot. Bonds9

About methyl 2-(benzylamino)-3-[4-(furan-2-ylmethylcarbamoyl)-1,3-oxazol-2-yl]propanoate

methyl 2-(benzylamino)-3-[4-(furan-2-ylmethylcarbamoyl)-1,3-oxazol-2-yl]propanoate (PubChem CID 20586492) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is methyl 2-(benzylamino)-3-[4-(furan-2-ylmethylcarbamoyl)-1,3-oxazol-2-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-(benzylamino)-3-[4-(furan-2-ylmethylcarbamoyl)-1,3-oxazol-2-yl]propanoate
PubChem CID20586492
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC Namemethyl 2-(benzylamino)-3-[4-(furan-2-ylmethylcarbamoyl)-1,3-oxazol-2-yl]propanoate
SMILESCOC(=O)C(Cc1nc(C(=O)NCc2ccco2)co1)NCc1ccccc1
InChIInChI=1S/C20H21N3O5/c1-26-20(25)16(21-11-14-6-3-2-4-7-14)10-18-23-17(13-28-18)19(24)22-12-15-8-5-9-27-15/h2-9,13,16,21H,10-12H2,1H3,(H,22,24)
InChIKeyIPDWEZBVIWGHFD-UHFFFAOYSA-N
XLogP2.07
TPSA106.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-(benzylamino)-3-[4-(furan-2-ylmethylcarbamoyl)-1,3-oxazol-2-yl]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 methyl 2-(benzylamino)-3-[4-(furan-2-ylmethylcarbamoyl)-1,3-oxazol-2-yl]propanoate?
The IUPAC name of methyl 2-(benzylamino)-3-[4-(furan-2-ylmethylcarbamoyl)-1,3-oxazol-2-yl]propanoate (CID 20586492) is methyl 2-(benzylamino)-3-[4-(furan-2-ylmethylcarbamoyl)-1,3-oxazol-2-yl]propanoate.
What is the SMILES notation for methyl 2-(benzylamino)-3-[4-(furan-2-ylmethylcarbamoyl)-1,3-oxazol-2-yl]propanoate?
The canonical SMILES for methyl 2-(benzylamino)-3-[4-(furan-2-ylmethylcarbamoyl)-1,3-oxazol-2-yl]propanoate is COC(=O)C(Cc1nc(C(=O)NCc2ccco2)co1)NCc1ccccc1.
What is the InChIKey of methyl 2-(benzylamino)-3-[4-(furan-2-ylmethylcarbamoyl)-1,3-oxazol-2-yl]propanoate?
The InChIKey is IPDWEZBVIWGHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-26-20(25)16(21-11-14-6-3-2-4-7-14)10-18-23-17(13-28-18)19(24)22-12-15-8-5-9-27-15/h2-9,13,16,21H,10-12H2,1H3,(H,22,24).
What are the key properties of methyl 2-(benzylamino)-3-[4-(furan-2-ylmethylcarbamoyl)-1,3-oxazol-2-yl]propanoate?
methyl 2-(benzylamino)-3-[4-(furan-2-ylmethylcarbamoyl)-1,3-oxazol-2-yl]propanoate has a molecular weight of 383.40 g/mol, XLogP of 2.07, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(benzylamino)-3-[4-(furan-2-ylmethylcarbamoyl)-1,3-oxazol-2-yl]propanoate is sourced from PubChem (CID 20586492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).