N-(2-aminoethyl)-5-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide;hydrochloride

C12H12Cl3N3O2 — CID 19768719

IUPACN-(2-aminoethyl)-5-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide;hydrochloride
SMILESCl.NCCNC(=O)c1ncoc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H11Cl2N3O2.ClH/c13-8-2-1-7(5-9(8)14)11-10(17-6-19-11)12(18)16-4-3-15;/h1-2,5-6H,3-4,15H2,(H,16,18);1H
InChIKeyNABZVFMPHKZZMH-UHFFFAOYSA-N
MW336.61 g/mol
LogP2.76
Rot. Bonds4

About N-(2-aminoethyl)-5-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide;hydrochloride

N-(2-aminoethyl)-5-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide;hydrochloride (PubChem CID 19768719) has the molecular formula C12H12Cl3N3O2 and a molecular weight of 336.61 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide;hydrochloride
PubChem CID19768719
Molecular FormulaC12H12Cl3N3O2
Molecular Weight336.61 g/mol
Exact Mass335.00
IUPAC NameN-(2-aminoethyl)-5-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide;hydrochloride
SMILESCl.NCCNC(=O)c1ncoc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H11Cl2N3O2.ClH/c13-8-2-1-7(5-9(8)14)11-10(17-6-19-11)12(18)16-4-3-15;/h1-2,5-6H,3-4,15H2,(H,16,18);1H
InChIKeyNABZVFMPHKZZMH-UHFFFAOYSA-N
XLogP2.76
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.61
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-5-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide;hydrochloride (CID 19768719) is N-(2-aminoethyl)-5-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-5-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-5-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide;hydrochloride is Cl.NCCNC(=O)c1ncoc1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(2-aminoethyl)-5-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide;hydrochloride?
The InChIKey is NABZVFMPHKZZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O2.ClH/c13-8-2-1-7(5-9(8)14)11-10(17-6-19-11)12(18)16-4-3-15;/h1-2,5-6H,3-4,15H2,(H,16,18);1H.
What are the key properties of N-(2-aminoethyl)-5-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide;hydrochloride?
N-(2-aminoethyl)-5-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide;hydrochloride has a molecular weight of 336.61 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 19768719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).