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

C13H15N3O3 — CID 106485131

IUPAC2-[3-(aminomethyl)phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)COc2cccc(CN)c2)no1
InChIInChI=1S/C13H15N3O3/c1-9-5-12(16-19-9)15-13(17)8-18-11-4-2-3-10(6-11)7-14/h2-6H,7-8,14H2,1H3,(H,15,16,17)
InChIKeyJVKLJQPOABZZRM-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.46
Rot. Bonds5

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

2-[3-(aminomethyl)phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 106485131) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-[3-(aminomethyl)phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID106485131
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name2-[3-(aminomethyl)phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)COc2cccc(CN)c2)no1
InChIInChI=1S/C13H15N3O3/c1-9-5-12(16-19-9)15-13(17)8-18-11-4-2-3-10(6-11)7-14/h2-6H,7-8,14H2,1H3,(H,15,16,17)
InChIKeyJVKLJQPOABZZRM-UHFFFAOYSA-N
XLogP1.46
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chlorophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2632943
N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(morpholin-4-ylmethyl)phenoxy]acetamide
CID 171909386
2-[3-(aminomethyl)phenoxy]-N-(2,3-dimethylphenyl)acetamide
CID 46741581
2-[3-(aminomethyl)phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 106485075
2-[3-(aminomethyl)phenoxy]-N-(4-phenoxyphenyl)acetamide
CID 46741579
N-[3-(aminomethyl)phenyl]-2-(3-methylphenoxy)acetamide
CID 16783753
N-(5-methyl-1,2-oxazol-3-yl)-3-[(2-phenoxyacetyl)amino]propanamide
CID 110370363
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylsulfonylphenoxy)acetamide
CID 51174485
N-[3-(aminomethyl)phenyl]-2-(3-fluorophenoxy)acetamide
CID 16784462
2-[3-(aminomethyl)phenoxy]-N-pentan-3-ylacetamide
CID 55031831
N-[3-(aminomethyl)phenyl]-2-phenoxyacetamide
CID 16781265
2-[3,5-bis(trifluoromethyl)phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2544509

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[3-(aminomethyl)phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 106485131) is 2-[3-(aminomethyl)phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[3-(aminomethyl)phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[3-(aminomethyl)phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)COc2cccc(CN)c2)no1.
What is the InChIKey of 2-[3-(aminomethyl)phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is JVKLJQPOABZZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-9-5-12(16-19-9)15-13(17)8-18-11-4-2-3-10(6-11)7-14/h2-6H,7-8,14H2,1H3,(H,15,16,17).
What are the key properties of 2-[3-(aminomethyl)phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[3-(aminomethyl)phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 261.28 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 106485131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).