N-[2-(4-aminophenyl)ethyl]-3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propanamide;hydrochloride

C15H19Cl2N3O2 — CID 119547677

IUPACN-[2-(4-aminophenyl)ethyl]-3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propanamide;hydrochloride
SMILESCc1noc(Cl)c1CCC(=O)NCCc1ccc(N)cc1.Cl
InChIInChI=1S/C15H18ClN3O2.ClH/c1-10-13(15(16)21-19-10)6-7-14(20)18-9-8-11-2-4-12(17)5-3-11;/h2-5H,6-9,17H2,1H3,(H,18,20);1H
InChIKeyGNZDJHAGQLLYAF-UHFFFAOYSA-N
MW344.24 g/mol
LogP2.93
Rot. Bonds6

About N-[2-(4-aminophenyl)ethyl]-3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propanamide;hydrochloride

N-[2-(4-aminophenyl)ethyl]-3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propanamide;hydrochloride (PubChem CID 119547677) has the molecular formula C15H19Cl2N3O2 and a molecular weight of 344.24 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propanamide;hydrochloride
PubChem CID119547677
Molecular FormulaC15H19Cl2N3O2
Molecular Weight344.24 g/mol
Exact Mass343.09
IUPAC NameN-[2-(4-aminophenyl)ethyl]-3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propanamide;hydrochloride
SMILESCc1noc(Cl)c1CCC(=O)NCCc1ccc(N)cc1.Cl
InChIInChI=1S/C15H18ClN3O2.ClH/c1-10-13(15(16)21-19-10)6-7-14(20)18-9-8-11-2-4-12(17)5-3-11;/h2-5H,6-9,17H2,1H3,(H,18,20);1H
InChIKeyGNZDJHAGQLLYAF-UHFFFAOYSA-N
XLogP2.93
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119429962
2-(4-aminophenyl)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide
CID 119778984
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18132053
N-[2-(4-aminophenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119549376
N-[2-(4-aminophenyl)ethyl]-3-(5-chlorothiophen-2-yl)propanamide
CID 119548205
N-[2-(4-aminophenyl)ethyl]-3-phenylpropanamide
CID 39367183
N-[2-(4-aminophenyl)ethyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 119547739
N-(3-amino-3-oxopropyl)-3-(4-aminophenyl)propanamide
CID 43553907
N-[2-[2-(4-aminophenyl)ethylamino]-2-oxoethyl]butanamide;hydrochloride
CID 119549003
3-[2-(4-aminophenyl)ethylamino]-3-oxopropanoic acid
CID 110480212
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 18132174
N-[2-[2-(4-aminophenyl)ethylamino]-2-oxoethyl]butanamide
CID 119549004

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propanamide;hydrochloride?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propanamide;hydrochloride (CID 119547677) is N-[2-(4-aminophenyl)ethyl]-3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propanamide;hydrochloride.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propanamide;hydrochloride?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propanamide;hydrochloride is Cc1noc(Cl)c1CCC(=O)NCCc1ccc(N)cc1.Cl.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propanamide;hydrochloride?
The InChIKey is GNZDJHAGQLLYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2.ClH/c1-10-13(15(16)21-19-10)6-7-14(20)18-9-8-11-2-4-12(17)5-3-11;/h2-5H,6-9,17H2,1H3,(H,18,20);1H.
What are the key properties of N-[2-(4-aminophenyl)ethyl]-3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propanamide;hydrochloride?
N-[2-(4-aminophenyl)ethyl]-3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propanamide;hydrochloride has a molecular weight of 344.24 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propanamide;hydrochloride is sourced from PubChem (CID 119547677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).