benzyl 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoylamino]acetate

C17H19N3O4 — CID 75372856

IUPACbenzyl 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoylamino]acetate
SMILESO=C(CCc1nc(C2CC2)no1)NCC(=O)OCc1ccccc1
InChIInChI=1S/C17H19N3O4/c21-14(8-9-15-19-17(20-24-15)13-6-7-13)18-10-16(22)23-11-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,18,21)
InChIKeyLZDGHGDUYFMTPI-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.74
Rot. Bonds8

About benzyl 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoylamino]acetate

benzyl 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoylamino]acetate (PubChem CID 75372856) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is benzyl 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoylamino]acetate.

Molecular Properties

Compound Namebenzyl 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoylamino]acetate
PubChem CID75372856
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Namebenzyl 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoylamino]acetate
SMILESO=C(CCc1nc(C2CC2)no1)NCC(=O)OCc1ccccc1
InChIInChI=1S/C17H19N3O4/c21-14(8-9-15-19-17(20-24-15)13-6-7-13)18-10-16(22)23-11-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,18,21)
InChIKeyLZDGHGDUYFMTPI-UHFFFAOYSA-N
XLogP1.74
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoate
CID 71868553
N-(2-amino-2-phenylethyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide
CID 119528258
2-[[4-oxo-4-[(2-oxo-2-phenylmethoxyethyl)amino]butanoyl]amino]acetic acid
CID 139916418
2-[3-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]phenoxy]acetic acid
CID 119246497
benzyl 2-[(2-phenylacetyl)amino]acetate
CID 2168453
benzyl 2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]acetate
CID 30699767
benzyl 2-[3-(3-fluorophenyl)propanoylamino]acetate
CID 31949955
benzyl 2-[3-(3-chlorophenyl)propanoylamino]acetate
CID 51280706
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(2,2-dimethylpropylsulfonyl)propanamide
CID 99812784
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-pyridin-3-ylacetamide
CID 77095090
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 65390508
benzyl 2-(cyclopropanecarbonylamino)acetate
CID 26878245

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoylamino]acetate?
The IUPAC name of benzyl 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoylamino]acetate (CID 75372856) is benzyl 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoylamino]acetate.
What is the SMILES notation for benzyl 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoylamino]acetate?
The canonical SMILES for benzyl 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoylamino]acetate is O=C(CCc1nc(C2CC2)no1)NCC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoylamino]acetate?
The InChIKey is LZDGHGDUYFMTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c21-14(8-9-15-19-17(20-24-15)13-6-7-13)18-10-16(22)23-11-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,18,21).
What are the key properties of benzyl 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoylamino]acetate?
benzyl 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoylamino]acetate has a molecular weight of 329.36 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoylamino]acetate is sourced from PubChem (CID 75372856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).