2-(aminomethyl)-N-(2-ethylsulfanylphenyl)-1,3-oxazole-4-carboxamide

C13H15N3O2S — CID 131896292

IUPAC2-(aminomethyl)-N-(2-ethylsulfanylphenyl)-1,3-oxazole-4-carboxamide
SMILESCCSc1ccccc1NC(=O)c1coc(CN)n1
InChIInChI=1S/C13H15N3O2S/c1-2-19-11-6-4-3-5-9(11)16-13(17)10-8-18-12(7-14)15-10/h3-6,8H,2,7,14H2,1H3,(H,16,17)
InChIKeyABEKQMZYSKSUQV-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.50
Rot. Bonds5

About 2-(aminomethyl)-N-(2-ethylsulfanylphenyl)-1,3-oxazole-4-carboxamide

2-(aminomethyl)-N-(2-ethylsulfanylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 131896292) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-ethylsulfanylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-ethylsulfanylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID131896292
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name2-(aminomethyl)-N-(2-ethylsulfanylphenyl)-1,3-oxazole-4-carboxamide
SMILESCCSc1ccccc1NC(=O)c1coc(CN)n1
InChIInChI=1S/C13H15N3O2S/c1-2-19-11-6-4-3-5-9(11)16-13(17)10-8-18-12(7-14)15-10/h3-6,8H,2,7,14H2,1H3,(H,16,17)
InChIKeyABEKQMZYSKSUQV-UHFFFAOYSA-N
XLogP2.50
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 131942915
2-(aminomethyl)-N-[2-(3-phenylpropoxy)phenyl]-1,3-oxazole-4-carboxamide
CID 131902671
5-bromo-N-(2-ethylsulfanylphenyl)furan-2-carboxamide
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3-ethyl-N-(2-ethylsulfanylphenyl)-1-methylpyrazole-5-carboxamide
CID 131920585
N-(2-ethylsulfanylphenyl)-2-methylsulfanylbenzamide
CID 28577649
2-(aminomethyl)-N-[2-methyl-5-(propylcarbamoyl)phenyl]-1,3-oxazole-4-carboxamide
CID 131938011
N-(2-ethylsulfanylphenyl)-2-iodobenzamide
CID 47310864
2-amino-3-chloro-N-(2-ethylsulfanylphenyl)benzamide
CID 115540166
2-(ethylamino)-N-(2-ethylsulfanylphenyl)benzamide
CID 63107839
5-(3,4-dimethylphenyl)-N-(2-ethylsulfanylphenyl)-1,2-oxazole-3-carboxamide
CID 155943086
N-(2-ethylsulfanylphenyl)-2,6-dimethoxybenzamide
CID 92646111
2-amino-N-(2-ethylsulfanylphenyl)cyclopropane-1-carboxamide
CID 82239236

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-ethylsulfanylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(2-ethylsulfanylphenyl)-1,3-oxazole-4-carboxamide (CID 131896292) is 2-(aminomethyl)-N-(2-ethylsulfanylphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-ethylsulfanylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-ethylsulfanylphenyl)-1,3-oxazole-4-carboxamide is CCSc1ccccc1NC(=O)c1coc(CN)n1.
What is the InChIKey of 2-(aminomethyl)-N-(2-ethylsulfanylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is ABEKQMZYSKSUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-2-19-11-6-4-3-5-9(11)16-13(17)10-8-18-12(7-14)15-10/h3-6,8H,2,7,14H2,1H3,(H,16,17).
What are the key properties of 2-(aminomethyl)-N-(2-ethylsulfanylphenyl)-1,3-oxazole-4-carboxamide?
2-(aminomethyl)-N-(2-ethylsulfanylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-ethylsulfanylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 131896292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).