methyl 2-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]-[(1S)-1-phenylpropyl]amino]acetate

C18H23N3O5 — CID 97096397

IUPACmethyl 2-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]-[(1S)-1-phenylpropyl]amino]acetate
SMILESCC[C@@H](c1ccccc1)N(CC(=O)OC)C(=O)COCc1nc(C)no1
InChIInChI=1S/C18H23N3O5/c1-4-15(14-8-6-5-7-9-14)21(10-18(23)24-3)17(22)12-25-11-16-19-13(2)20-26-16/h5-9,15H,4,10-12H2,1-3H3/t15-/m0/s1
InChIKeyFAGLIJCTTFUJIG-HNNXBMFYSA-N
MW361.40 g/mol
LogP2.05
Rot. Bonds9

About methyl 2-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]-[(1S)-1-phenylpropyl]amino]acetate

methyl 2-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]-[(1S)-1-phenylpropyl]amino]acetate (PubChem CID 97096397) has the molecular formula C18H23N3O5 and a molecular weight of 361.40 g/mol. Its IUPAC name is methyl 2-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]-[(1S)-1-phenylpropyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]-[(1S)-1-phenylpropyl]amino]acetate
PubChem CID97096397
Molecular FormulaC18H23N3O5
Molecular Weight361.40 g/mol
Exact Mass361.16
IUPAC Namemethyl 2-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]-[(1S)-1-phenylpropyl]amino]acetate
SMILESCC[C@@H](c1ccccc1)N(CC(=O)OC)C(=O)COCc1nc(C)no1
InChIInChI=1S/C18H23N3O5/c1-4-15(14-8-6-5-7-9-14)21(10-18(23)24-3)17(22)12-25-11-16-19-13(2)20-26-16/h5-9,15H,4,10-12H2,1-3H3/t15-/m0/s1
InChIKeyFAGLIJCTTFUJIG-HNNXBMFYSA-N
XLogP2.05
TPSA94.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]-[(1S)-1-phenylpropyl]amino]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]-[(1S)-1-phenylpropyl]amino]acetate?
The IUPAC name of methyl 2-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]-[(1S)-1-phenylpropyl]amino]acetate (CID 97096397) is methyl 2-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]-[(1S)-1-phenylpropyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]-[(1S)-1-phenylpropyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]-[(1S)-1-phenylpropyl]amino]acetate is CC[C@@H](c1ccccc1)N(CC(=O)OC)C(=O)COCc1nc(C)no1.
What is the InChIKey of methyl 2-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]-[(1S)-1-phenylpropyl]amino]acetate?
The InChIKey is FAGLIJCTTFUJIG-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N3O5/c1-4-15(14-8-6-5-7-9-14)21(10-18(23)24-3)17(22)12-25-11-16-19-13(2)20-26-16/h5-9,15H,4,10-12H2,1-3H3/t15-/m0/s1.
What are the key properties of methyl 2-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]-[(1S)-1-phenylpropyl]amino]acetate?
methyl 2-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]-[(1S)-1-phenylpropyl]amino]acetate has a molecular weight of 361.40 g/mol, XLogP of 2.05, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]-[(1S)-1-phenylpropyl]amino]acetate is sourced from PubChem (CID 97096397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).