N-[2-(4-aminophenyl)ethyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide;hydrochloride

C14H18ClN3O3 — CID 119548605

IUPACN-[2-(4-aminophenyl)ethyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide;hydrochloride
SMILESCOCc1cc(C(=O)NCCc2ccc(N)cc2)no1.Cl
InChIInChI=1S/C14H17N3O3.ClH/c1-19-9-12-8-13(17-20-12)14(18)16-7-6-10-2-4-11(15)5-3-10;/h2-5,8H,6-7,9,15H2,1H3,(H,16,18);1H
InChIKeyIYDOIMTZDSEDQM-UHFFFAOYSA-N
MW311.77 g/mol
LogP1.80
Rot. Bonds6

About N-[2-(4-aminophenyl)ethyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide;hydrochloride

N-[2-(4-aminophenyl)ethyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide;hydrochloride (PubChem CID 119548605) has the molecular formula C14H18ClN3O3 and a molecular weight of 311.77 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide;hydrochloride
PubChem CID119548605
Molecular FormulaC14H18ClN3O3
Molecular Weight311.77 g/mol
Exact Mass311.10
IUPAC NameN-[2-(4-aminophenyl)ethyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide;hydrochloride
SMILESCOCc1cc(C(=O)NCCc2ccc(N)cc2)no1.Cl
InChIInChI=1S/C14H17N3O3.ClH/c1-19-9-12-8-13(17-20-12)14(18)16-7-6-10-2-4-11(15)5-3-10;/h2-5,8H,6-7,9,15H2,1H3,(H,16,18);1H
InChIKeyIYDOIMTZDSEDQM-UHFFFAOYSA-N
XLogP1.80
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(4-aminophenyl)ethyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(4-hydroxyphenyl)phenyl]methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 75374644
(2S)-2-hydroxy-4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid
CID 107834693
N-(4-aminophenyl)-N-ethyl-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66157522
N-[(2S)-3-amino-2-methylpropyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 124685846
5-[(2,6-dimethylphenoxy)methyl]-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 56701087
N-[2-(4-aminophenyl)ethyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide
CID 119547664
N-(2-ethyl-2-hydroxybutyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66156577
N-[2-(4-aminophenyl)ethyl]-2-hydroxy-4-methoxybenzamide
CID 61220987
methyl 5-(methoxymethyl)-1,2-oxazole-3-carboxylate
CID 13371025
4-amino-N-[2-(4-aminophenyl)ethyl]benzamide
CID 110483115
N-[2-(4-aminophenyl)ethyl]-3-(2-methoxyethoxy)benzamide;hydrochloride
CID 119547417
methyl 2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]propanoate
CID 66156389

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide;hydrochloride (CID 119548605) is N-[2-(4-aminophenyl)ethyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide;hydrochloride is COCc1cc(C(=O)NCCc2ccc(N)cc2)no1.Cl.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide;hydrochloride?
The InChIKey is IYDOIMTZDSEDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3.ClH/c1-19-9-12-8-13(17-20-12)14(18)16-7-6-10-2-4-11(15)5-3-10;/h2-5,8H,6-7,9,15H2,1H3,(H,16,18);1H.
What are the key properties of N-[2-(4-aminophenyl)ethyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide;hydrochloride?
N-[2-(4-aminophenyl)ethyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide;hydrochloride has a molecular weight of 311.77 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119548605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).