N-[2-(4-aminophenoxy)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

C14H17N3O3 — CID 63237842

IUPACN-[2-(4-aminophenoxy)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCCOc1ccc(N)cc1
InChIInChI=1S/C14H17N3O3/c1-9-13(10(2)20-17-9)14(18)16-7-8-19-12-5-3-11(15)4-6-12/h3-6H,7-8,15H2,1-2H3,(H,16,18)
InChIKeyAMTKNVZZNXPUON-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.68
Rot. Bonds5

About N-[2-(4-aminophenoxy)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-[2-(4-aminophenoxy)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 63237842) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[2-(4-aminophenoxy)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-aminophenoxy)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID63237842
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-[2-(4-aminophenoxy)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCCOc1ccc(N)cc1
InChIInChI=1S/C14H17N3O3/c1-9-13(10(2)20-17-9)14(18)16-7-8-19-12-5-3-11(15)4-6-12/h3-6H,7-8,15H2,1-2H3,(H,16,18)
InChIKeyAMTKNVZZNXPUON-UHFFFAOYSA-N
XLogP1.68
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-aminophenoxy)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 63237844
N-[2-(4-aminophenoxy)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 63237930
N-[2-(4-aminophenoxy)ethyl]benzamide
CID 14121577
N-[2-(4-aminophenyl)ethyl]-5-(4-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 46093958
3-(4-aminophenoxy)propylcarbamic acid
CID 22640978
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 39285294
N-[2-(4-aminophenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 62388330
N-[2-(4-tert-butylphenoxy)ethyl]-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 166193213
N-[2-(4-aminophenoxy)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112601847
N-[2-(4-aminophenoxy)ethyl]-3,5-dibromobenzamide
CID 107971002
N-[2-(4-aminophenoxy)ethyl]-3,5-dichlorobenzamide
CID 61031479
N-[2-(4-aminophenoxy)ethyl]-2,3-dihydroxybenzamide
CID 114343182

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenoxy)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-(4-aminophenoxy)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 63237842) is N-[2-(4-aminophenoxy)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-aminophenoxy)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(4-aminophenoxy)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NCCOc1ccc(N)cc1.
What is the InChIKey of N-[2-(4-aminophenoxy)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is AMTKNVZZNXPUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9-13(10(2)20-17-9)14(18)16-7-8-19-12-5-3-11(15)4-6-12/h3-6H,7-8,15H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(4-aminophenoxy)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[2-(4-aminophenoxy)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenoxy)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 63237842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).