3-chloro-N-[2-[3-(2-ethyl-4-pyridinyl)-1,2-oxazol-5-yl]ethyl]benzamide;hydrochloride

C19H19Cl2N3O2 — CID 170312072

IUPAC3-chloro-N-[2-[3-(2-ethyl-4-pyridinyl)-1,2-oxazol-5-yl]ethyl]benzamide;hydrochloride
SMILESCCc1cc(-c2cc(CCNC(=O)c3cccc(Cl)c3)on2)ccn1.Cl
InChIInChI=1S/C19H18ClN3O2.ClH/c1-2-16-11-13(6-8-21-16)18-12-17(25-23-18)7-9-22-19(24)14-4-3-5-15(20)10-14;/h3-6,8,10-12H,2,7,9H2,1H3,(H,22,24);1H
InChIKeyDLOJXZRMLIMNGD-UHFFFAOYSA-N
MW392.29 g/mol
LogP4.35
Rot. Bonds6

About 3-chloro-N-[2-[3-(2-ethyl-4-pyridinyl)-1,2-oxazol-5-yl]ethyl]benzamide;hydrochloride

3-chloro-N-[2-[3-(2-ethyl-4-pyridinyl)-1,2-oxazol-5-yl]ethyl]benzamide;hydrochloride (PubChem CID 170312072) has the molecular formula C19H19Cl2N3O2 and a molecular weight of 392.29 g/mol. Its IUPAC name is 3-chloro-N-[2-[3-(2-ethyl-4-pyridinyl)-1,2-oxazol-5-yl]ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-chloro-N-[2-[3-(2-ethyl-4-pyridinyl)-1,2-oxazol-5-yl]ethyl]benzamide;hydrochloride
PubChem CID170312072
Molecular FormulaC19H19Cl2N3O2
Molecular Weight392.29 g/mol
Exact Mass391.09
IUPAC Name3-chloro-N-[2-[3-(2-ethyl-4-pyridinyl)-1,2-oxazol-5-yl]ethyl]benzamide;hydrochloride
SMILESCCc1cc(-c2cc(CCNC(=O)c3cccc(Cl)c3)on2)ccn1.Cl
InChIInChI=1S/C19H18ClN3O2.ClH/c1-2-16-11-13(6-8-21-16)18-12-17(25-23-18)7-9-22-19(24)14-4-3-5-15(20)10-14;/h3-6,8,10-12H,2,7,9H2,1H3,(H,22,24);1H
InChIKeyDLOJXZRMLIMNGD-UHFFFAOYSA-N
XLogP4.35
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]pyridine-2-carboxamide
CID 46949493
3-chloro-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7119199
2-[(3-chlorobenzoyl)amino]ethyl-dimethylazanium chloride
CID 18531817
N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide
CID 90537602
N-[2-(3-chlorophenyl)ethyl]-3-ethylbenzamide;ethane
CID 143158267
3-chloro-N-[1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]benzamide
CID 166761096
N-[2-(3-chlorophenyl)ethyl]-3-[3-(hydroxycarbamoyl)phenyl]benzamide
CID 25255713
3-chloro-N-(2-hydroxyethyl)benzamide
CID 2181761
N-[2-(3-chlorophenyl)ethyl]-2-(2-methylpropylamino)pyridine-4-carboxamide
CID 109165762
3-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 18111212
N-[3-[(3-chlorobenzoyl)amino]propyl]-6-methylpyridine-3-carboxamide
CID 6498652
N-[2-[(3-chlorobenzoyl)amino]ethyl]-3-(4-chlorophenyl)-1,2,4-oxadiazole-5-carboxamide
CID 17083223

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[3-(2-ethyl-4-pyridinyl)-1,2-oxazol-5-yl]ethyl]benzamide;hydrochloride?
The IUPAC name of 3-chloro-N-[2-[3-(2-ethyl-4-pyridinyl)-1,2-oxazol-5-yl]ethyl]benzamide;hydrochloride (CID 170312072) is 3-chloro-N-[2-[3-(2-ethyl-4-pyridinyl)-1,2-oxazol-5-yl]ethyl]benzamide;hydrochloride.
What is the SMILES notation for 3-chloro-N-[2-[3-(2-ethyl-4-pyridinyl)-1,2-oxazol-5-yl]ethyl]benzamide;hydrochloride?
The canonical SMILES for 3-chloro-N-[2-[3-(2-ethyl-4-pyridinyl)-1,2-oxazol-5-yl]ethyl]benzamide;hydrochloride is CCc1cc(-c2cc(CCNC(=O)c3cccc(Cl)c3)on2)ccn1.Cl.
What is the InChIKey of 3-chloro-N-[2-[3-(2-ethyl-4-pyridinyl)-1,2-oxazol-5-yl]ethyl]benzamide;hydrochloride?
The InChIKey is DLOJXZRMLIMNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2.ClH/c1-2-16-11-13(6-8-21-16)18-12-17(25-23-18)7-9-22-19(24)14-4-3-5-15(20)10-14;/h3-6,8,10-12H,2,7,9H2,1H3,(H,22,24);1H.
What are the key properties of 3-chloro-N-[2-[3-(2-ethyl-4-pyridinyl)-1,2-oxazol-5-yl]ethyl]benzamide;hydrochloride?
3-chloro-N-[2-[3-(2-ethyl-4-pyridinyl)-1,2-oxazol-5-yl]ethyl]benzamide;hydrochloride has a molecular weight of 392.29 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[3-(2-ethyl-4-pyridinyl)-1,2-oxazol-5-yl]ethyl]benzamide;hydrochloride is sourced from PubChem (CID 170312072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).