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

C12H14N4O3 — CID 134147070

IUPAC2-amino-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
SMILESCOc1ccc(-c2nnc(CNC(=O)CN)o2)cc1
InChIInChI=1S/C12H14N4O3/c1-18-9-4-2-8(3-5-9)12-16-15-11(19-12)7-14-10(17)6-13/h2-5H,6-7,13H2,1H3,(H,14,17)
InChIKeyJZXOULCOAYFCSO-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.32
Rot. Bonds5

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

2-amino-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide (PubChem CID 134147070) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-amino-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
PubChem CID134147070
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name2-amino-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
SMILESCOc1ccc(-c2nnc(CNC(=O)CN)o2)cc1
InChIInChI=1S/C12H14N4O3/c1-18-9-4-2-8(3-5-9)12-16-15-11(19-12)7-14-10(17)6-13/h2-5H,6-7,13H2,1H3,(H,14,17)
InChIKeyJZXOULCOAYFCSO-UHFFFAOYSA-N
XLogP0.32
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide?
The IUPAC name of 2-amino-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide (CID 134147070) is 2-amino-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide.
What is the SMILES notation for 2-amino-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide?
The canonical SMILES for 2-amino-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide is COc1ccc(-c2nnc(CNC(=O)CN)o2)cc1.
What is the InChIKey of 2-amino-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide?
The InChIKey is JZXOULCOAYFCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-18-9-4-2-8(3-5-9)12-16-15-11(19-12)7-14-10(17)6-13/h2-5H,6-7,13H2,1H3,(H,14,17).
What are the key properties of 2-amino-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide?
2-amino-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide has a molecular weight of 262.27 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide is sourced from PubChem (CID 134147070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).