2-[2-(aminomethyl)phenyl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide

C15H19N3O2 — CID 106371582

IUPAC2-[2-(aminomethyl)phenyl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide
SMILESCc1nc(CNC(=O)Cc2ccccc2CN)oc1C
InChIInChI=1S/C15H19N3O2/c1-10-11(2)20-15(18-10)9-17-14(19)7-12-5-3-4-6-13(12)8-16/h3-6H,7-9,16H2,1-2H3,(H,17,19)
InChIKeyBOJHFWCJJFPDCH-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.61
Rot. Bonds5

About 2-[2-(aminomethyl)phenyl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide

2-[2-(aminomethyl)phenyl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide (PubChem CID 106371582) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide
PubChem CID106371582
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-[2-(aminomethyl)phenyl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide
SMILESCc1nc(CNC(=O)Cc2ccccc2CN)oc1C
InChIInChI=1S/C15H19N3O2/c1-10-11(2)20-15(18-10)9-17-14(19)7-12-5-3-4-6-13(12)8-16/h3-6H,7-9,16H2,1-2H3,(H,17,19)
InChIKeyBOJHFWCJJFPDCH-UHFFFAOYSA-N
XLogP1.61
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-phenylpropanamide
CID 103795817
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 47344961
2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-phenylbutanamide
CID 106371744
3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylpropanamide
CID 106371786
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,6-dihydroxybenzamide
CID 103890358
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(2-ethylphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111636685
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-indol-1-ylacetamide
CID 87043777
3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-phenyl-3-sulfanylidenepropanamide
CID 106372336
2-(2-chlorophenyl)sulfanyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide
CID 87043322
2-cyano-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide
CID 104696925
6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-6-oxohexanoic acid
CID 106370238
3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]hexanamide
CID 114180296

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide (CID 106371582) is 2-[2-(aminomethyl)phenyl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide is Cc1nc(CNC(=O)Cc2ccccc2CN)oc1C.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide?
The InChIKey is BOJHFWCJJFPDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-11(2)20-15(18-10)9-17-14(19)7-12-5-3-4-6-13(12)8-16/h3-6H,7-9,16H2,1-2H3,(H,17,19).
What are the key properties of 2-[2-(aminomethyl)phenyl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide?
2-[2-(aminomethyl)phenyl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide has a molecular weight of 273.34 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide is sourced from PubChem (CID 106371582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).