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

C12H14N4O2 — CID 134143133

IUPAC2-amino-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
SMILESCc1ccc(-c2nnc(CNC(=O)CN)o2)cc1
InChIInChI=1S/C12H14N4O2/c1-8-2-4-9(5-3-8)12-16-15-11(18-12)7-14-10(17)6-13/h2-5H,6-7,13H2,1H3,(H,14,17)
InChIKeyDMQSLXSJWPEUEQ-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.62
Rot. Bonds4

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

2-amino-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide (PubChem CID 134143133) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-amino-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
PubChem CID134143133
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name2-amino-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
SMILESCc1ccc(-c2nnc(CNC(=O)CN)o2)cc1
InChIInChI=1S/C12H14N4O2/c1-8-2-4-9(5-3-8)12-16-15-11(18-12)7-14-10(17)6-13/h2-5H,6-7,13H2,1H3,(H,14,17)
InChIKeyDMQSLXSJWPEUEQ-UHFFFAOYSA-N
XLogP0.62
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide?
The IUPAC name of 2-amino-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide (CID 134143133) is 2-amino-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide.
What is the SMILES notation for 2-amino-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide?
The canonical SMILES for 2-amino-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide is Cc1ccc(-c2nnc(CNC(=O)CN)o2)cc1.
What is the InChIKey of 2-amino-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide?
The InChIKey is DMQSLXSJWPEUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-8-2-4-9(5-3-8)12-16-15-11(18-12)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-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide?
2-amino-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide has a molecular weight of 246.27 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide is sourced from PubChem (CID 134143133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).