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

C12H14N4O3 — CID 106484956

IUPAC2-[4-(aminomethyl)phenoxy]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)COc2ccc(CN)cc2)o1
InChIInChI=1S/C12H14N4O3/c1-8-15-16-12(19-8)14-11(17)7-18-10-4-2-9(6-13)3-5-10/h2-5H,6-7,13H2,1H3,(H,14,16,17)
InChIKeyUWDBLJYINRMJAM-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.85
Rot. Bonds5

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

2-[4-(aminomethyl)phenoxy]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 106484956) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenoxy]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenoxy]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID106484956
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name2-[4-(aminomethyl)phenoxy]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)COc2ccc(CN)cc2)o1
InChIInChI=1S/C12H14N4O3/c1-8-15-16-12(19-8)14-11(17)7-18-10-4-2-9(6-13)3-5-10/h2-5H,6-7,13H2,1H3,(H,14,16,17)
InChIKeyUWDBLJYINRMJAM-UHFFFAOYSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-4-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethoxy]benzoic acid
CID 107671035
2-[4-(aminomethyl)phenoxy]-N-(3-methyl-4-pyridinyl)acetamide
CID 63667624
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide
CID 43975792
2-[4-(aminomethyl)phenoxy]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 62525022
2-[[2-[4-(aminomethyl)phenoxy]acetyl]amino]acetamide
CID 16774708
2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-methylacetamide
CID 43366442
N-[4-(aminomethyl)phenyl]-2-(4-fluorophenoxy)acetamide
CID 16782278
2-[4-(aminomethyl)phenoxy]-N-(1H-pyrazol-4-yl)acetamide
CID 43539721
2-(4-chlorophenoxy)-N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43976699
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide
CID 90603131
2-[4-(aminomethyl)phenoxy]-N-(cyclopentylmethyl)acetamide
CID 43370712
2-[4-(aminomethyl)phenoxy]-N-(3-methoxyphenyl)acetamide
CID 16795321

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenoxy]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)phenoxy]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide (CID 106484956) is 2-[4-(aminomethyl)phenoxy]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)phenoxy]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)phenoxy]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide is Cc1nnc(NC(=O)COc2ccc(CN)cc2)o1.
What is the InChIKey of 2-[4-(aminomethyl)phenoxy]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is UWDBLJYINRMJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-8-15-16-12(19-8)14-11(17)7-18-10-4-2-9(6-13)3-5-10/h2-5H,6-7,13H2,1H3,(H,14,16,17).
What are the key properties of 2-[4-(aminomethyl)phenoxy]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
2-[4-(aminomethyl)phenoxy]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 262.27 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenoxy]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 106484956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).