5-(3-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-1,2-oxazole-3-carboxamide;hydrochloride

C15H19Cl2N3O2 — CID 120652870

IUPAC5-(3-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-1,2-oxazole-3-carboxamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)c1cc(-c2cccc(Cl)c2)on1.Cl
InChIInChI=1S/C15H18ClN3O2.ClH/c1-3-17-10(2)9-18-15(20)13-8-14(21-19-13)11-5-4-6-12(16)7-11;/h4-8,10,17H,3,9H2,1-2H3,(H,18,20);1H/t10-;/m1./s1
InChIKeyUGEYILCOTFJXBJ-HNCPQSOCSA-N
MW344.24 g/mol
LogP3.14
Rot. Bonds6

About 5-(3-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-1,2-oxazole-3-carboxamide;hydrochloride

5-(3-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-1,2-oxazole-3-carboxamide;hydrochloride (PubChem CID 120652870) has the molecular formula C15H19Cl2N3O2 and a molecular weight of 344.24 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-1,2-oxazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-1,2-oxazole-3-carboxamide;hydrochloride
PubChem CID120652870
Molecular FormulaC15H19Cl2N3O2
Molecular Weight344.24 g/mol
Exact Mass343.09
IUPAC Name5-(3-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-1,2-oxazole-3-carboxamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)c1cc(-c2cccc(Cl)c2)on1.Cl
InChIInChI=1S/C15H18ClN3O2.ClH/c1-3-17-10(2)9-18-15(20)13-8-14(21-19-13)11-5-4-6-12(16)7-11;/h4-8,10,17H,3,9H2,1-2H3,(H,18,20);1H/t10-;/m1./s1
InChIKeyUGEYILCOTFJXBJ-HNCPQSOCSA-N
XLogP3.14
TPSA67.16 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 ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-chlorophenyl)-N-[2-(methylamino)propyl]-1,2-oxazole-3-carboxamide;hydrochloride
CID 120826944
N-(2-amino-2-methylpropyl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 119630177
5-(3-chlorophenyl)-N-(2-hydroxyethyl)-1,2-oxazole-3-carboxamide
CID 78862555
5-(3-chlorophenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,2-oxazole-3-carboxamide
CID 41098517
N-[(2R)-2-(ethylamino)propyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 120654528
5-(3-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-1H-pyrazole-4-carboxamide;hydrochloride
CID 120652144
N-[2-(methylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 120827875
N-[2-(4-chlorophenyl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 171470034
5-(3-chlorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 110908974
N-(2-hydroxypropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 43418328
ethyl 2-[[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 15988641
N-(3-hydroxy-2-methylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 65031495

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-1,2-oxazole-3-carboxamide;hydrochloride?
The IUPAC name of 5-(3-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-1,2-oxazole-3-carboxamide;hydrochloride (CID 120652870) is 5-(3-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-1,2-oxazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-(3-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-1,2-oxazole-3-carboxamide;hydrochloride?
The canonical SMILES for 5-(3-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-1,2-oxazole-3-carboxamide;hydrochloride is CCN[C@H](C)CNC(=O)c1cc(-c2cccc(Cl)c2)on1.Cl.
What is the InChIKey of 5-(3-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-1,2-oxazole-3-carboxamide;hydrochloride?
The InChIKey is UGEYILCOTFJXBJ-HNCPQSOCSA-N. The full InChI is InChI=1S/C15H18ClN3O2.ClH/c1-3-17-10(2)9-18-15(20)13-8-14(21-19-13)11-5-4-6-12(16)7-11;/h4-8,10,17H,3,9H2,1-2H3,(H,18,20);1H/t10-;/m1./s1.
What are the key properties of 5-(3-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-1,2-oxazole-3-carboxamide;hydrochloride?
5-(3-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-1,2-oxazole-3-carboxamide;hydrochloride has a molecular weight of 344.24 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-1,2-oxazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 120652870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).