methyl 2-[[5-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]acetate

C18H18N4O4 — CID 29151813

IUPACmethyl 2-[[5-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]acetate
SMILESCOC(=O)CNc1ccc(-c2nc(Cc3ccc(OC)cc3)no2)cn1
InChIInChI=1S/C18H18N4O4/c1-24-14-6-3-12(4-7-14)9-16-21-18(26-22-16)13-5-8-15(19-10-13)20-11-17(23)25-2/h3-8,10H,9,11H2,1-2H3,(H,19,20)
InChIKeyMPBXIJRHMMFZHW-UHFFFAOYSA-N
MW354.37 g/mol
LogP2.32
Rot. Bonds7

About methyl 2-[[5-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]acetate

methyl 2-[[5-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]acetate (PubChem CID 29151813) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is methyl 2-[[5-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[5-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]acetate
PubChem CID29151813
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC Namemethyl 2-[[5-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]acetate
SMILESCOC(=O)CNc1ccc(-c2nc(Cc3ccc(OC)cc3)no2)cn1
InChIInChI=1S/C18H18N4O4/c1-24-14-6-3-12(4-7-14)9-16-21-18(26-22-16)13-5-8-15(19-10-13)20-11-17(23)25-2/h3-8,10H,9,11H2,1-2H3,(H,19,20)
InChIKeyMPBXIJRHMMFZHW-UHFFFAOYSA-N
XLogP2.32
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]acetate?
The IUPAC name of methyl 2-[[5-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]acetate (CID 29151813) is methyl 2-[[5-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]acetate.
What is the SMILES notation for methyl 2-[[5-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]acetate?
The canonical SMILES for methyl 2-[[5-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]acetate is COC(=O)CNc1ccc(-c2nc(Cc3ccc(OC)cc3)no2)cn1.
What is the InChIKey of methyl 2-[[5-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]acetate?
The InChIKey is MPBXIJRHMMFZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c1-24-14-6-3-12(4-7-14)9-16-21-18(26-22-16)13-5-8-15(19-10-13)20-11-17(23)25-2/h3-8,10H,9,11H2,1-2H3,(H,19,20).
What are the key properties of methyl 2-[[5-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]acetate?
methyl 2-[[5-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]acetate has a molecular weight of 354.37 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]acetate is sourced from PubChem (CID 29151813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).