benzyl 2-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]acetate

C20H19N3O5 — CID 55473566

IUPACbenzyl 2-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]acetate
SMILESCc1nc(COc2ccc(C(=O)NCC(=O)OCc3ccccc3)cc2)no1
InChIInChI=1S/C20H19N3O5/c1-14-22-18(23-28-14)13-26-17-9-7-16(8-10-17)20(25)21-11-19(24)27-12-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,21,25)
InChIKeyLQWGBFIHXWNETG-UHFFFAOYSA-N
MW381.39 g/mol
LogP2.43
Rot. Bonds8

About benzyl 2-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]acetate

benzyl 2-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]acetate (PubChem CID 55473566) has the molecular formula C20H19N3O5 and a molecular weight of 381.39 g/mol. Its IUPAC name is benzyl 2-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]acetate
PubChem CID55473566
Molecular FormulaC20H19N3O5
Molecular Weight381.39 g/mol
Exact Mass381.13
IUPAC Namebenzyl 2-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]acetate
SMILESCc1nc(COc2ccc(C(=O)NCC(=O)OCc3ccccc3)cc2)no1
InChIInChI=1S/C20H19N3O5/c1-14-22-18(23-28-14)13-26-17-9-7-16(8-10-17)20(25)21-11-19(24)27-12-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,21,25)
InChIKeyLQWGBFIHXWNETG-UHFFFAOYSA-N
XLogP2.43
TPSA103.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 47137708
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 38476918
N-[3-(4-benzylpiperazin-1-yl)propyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 55633954
benzyl 2-benzamidoacetate;ethane
CID 142836612
benzyl 2-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]acetate
CID 29209753
N-[(2S)-3-methylbutan-2-yl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 25362920
3-[2-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]ethyldisulfanyl]propanoic acid;2,2,2-trifluoroacetic acid
CID 166425113
N-[cyclohexyl(phenyl)methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 46457447
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 55654311
propan-2-yl 3-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-3-phenylpropanoate
CID 55494116
benzyl 2-[[4-(trifluoromethoxy)benzoyl]amino]acetate
CID 27898594
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide
CID 55712910

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]acetate?
The IUPAC name of benzyl 2-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]acetate (CID 55473566) is benzyl 2-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]acetate.
What is the SMILES notation for benzyl 2-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]acetate?
The canonical SMILES for benzyl 2-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]acetate is Cc1nc(COc2ccc(C(=O)NCC(=O)OCc3ccccc3)cc2)no1.
What is the InChIKey of benzyl 2-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]acetate?
The InChIKey is LQWGBFIHXWNETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5/c1-14-22-18(23-28-14)13-26-17-9-7-16(8-10-17)20(25)21-11-19(24)27-12-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,21,25).
What are the key properties of benzyl 2-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]acetate?
benzyl 2-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]acetate has a molecular weight of 381.39 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]acetate is sourced from PubChem (CID 55473566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).