methyl 3-[benzyl-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]propanoate

C20H21N3O5 — CID 55554526

IUPACmethyl 3-[benzyl-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]propanoate
SMILESCOC(=O)CCN(Cc1ccccc1)C(=O)CCc1nc(-c2ccco2)no1
InChIInChI=1S/C20H21N3O5/c1-26-19(25)11-12-23(14-15-6-3-2-4-7-15)18(24)10-9-17-21-20(22-28-17)16-8-5-13-27-16/h2-8,13H,9-12,14H2,1H3
InChIKeyOMMZPCRSZRGTNS-UHFFFAOYSA-N
MW383.40 g/mol
LogP2.85
Rot. Bonds9

About methyl 3-[benzyl-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]propanoate

methyl 3-[benzyl-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]propanoate (PubChem CID 55554526) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is methyl 3-[benzyl-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[benzyl-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]propanoate
PubChem CID55554526
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC Namemethyl 3-[benzyl-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]propanoate
SMILESCOC(=O)CCN(Cc1ccccc1)C(=O)CCc1nc(-c2ccco2)no1
InChIInChI=1S/C20H21N3O5/c1-26-19(25)11-12-23(14-15-6-3-2-4-7-15)18(24)10-9-17-21-20(22-28-17)16-8-5-13-27-16/h2-8,13H,9-12,14H2,1H3
InChIKeyOMMZPCRSZRGTNS-UHFFFAOYSA-N
XLogP2.85
TPSA98.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 3-[benzyl-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]propanoate with MolForge

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Related Compounds

methyl 3-[benzyl-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]propanoate
CID 55513095
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate
CID 55553176
[1-(benzylamino)-1-oxopropan-2-yl] 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate
CID 55553846
N-(1-cyclopropylethyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 55551923
N-[(2-chlorophenyl)methyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 36702512
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 35701708
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide
CID 55555280
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methoxypropyl)propanamide
CID 36741660
(7-methoxynaphthalen-2-yl) 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate
CID 36808276
N,N-dibenzyl-3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100759699
N-(3-aminopropyl)-N-benzyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride
CID 120649292
N-(3-aminopropyl)-N-benzyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 120649291

Frequently Asked Questions

What is the IUPAC name of methyl 3-[benzyl-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]propanoate?
The IUPAC name of methyl 3-[benzyl-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]propanoate (CID 55554526) is methyl 3-[benzyl-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]propanoate.
What is the SMILES notation for methyl 3-[benzyl-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]propanoate?
The canonical SMILES for methyl 3-[benzyl-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]propanoate is COC(=O)CCN(Cc1ccccc1)C(=O)CCc1nc(-c2ccco2)no1.
What is the InChIKey of methyl 3-[benzyl-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]propanoate?
The InChIKey is OMMZPCRSZRGTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-26-19(25)11-12-23(14-15-6-3-2-4-7-15)18(24)10-9-17-21-20(22-28-17)16-8-5-13-27-16/h2-8,13H,9-12,14H2,1H3.
What are the key properties of methyl 3-[benzyl-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]propanoate?
methyl 3-[benzyl-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]propanoate has a molecular weight of 383.40 g/mol, XLogP of 2.85, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[benzyl-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]propanoate is sourced from PubChem (CID 55554526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).