N-[2-(4-chlorophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide

C21H21ClN2O3 — CID 24980808

IUPACN-[2-(4-chlorophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
SMILESCc1noc(C)c1COc1ccccc1C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C21H21ClN2O3/c1-14-19(15(2)27-24-14)13-26-20-6-4-3-5-18(20)21(25)23-12-11-16-7-9-17(22)10-8-16/h3-10H,11-13H2,1-2H3,(H,23,25)
InChIKeyQKNUSHVQBLLINK-UHFFFAOYSA-N
MW384.86 g/mol
LogP4.50
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide

N-[2-(4-chlorophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide (PubChem CID 24980808) has the molecular formula C21H21ClN2O3 and a molecular weight of 384.86 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
PubChem CID24980808
Molecular FormulaC21H21ClN2O3
Molecular Weight384.86 g/mol
Exact Mass384.12
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
SMILESCc1noc(C)c1COc1ccccc1C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C21H21ClN2O3/c1-14-19(15(2)27-24-14)13-26-20-6-4-3-5-18(20)21(25)23-12-11-16-7-9-17(22)10-8-16/h3-10H,11-13H2,1-2H3,(H,23,25)
InChIKeyQKNUSHVQBLLINK-UHFFFAOYSA-N
XLogP4.50
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-((4-chloro-2-methylphenyl)(4-chlorophenyl)methyl)-2-(4-((3,5-dimethylisoxazol-4-yl)methoxy)phenyl)acetamide
CID 71492470
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-~{N}-(3-methoxyphenyl)benzamide
CID 25163346
3-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)ethenyl]-N-propylbenzamide
CID 24776359
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-methylcyclohexyl)benzamide
CID 24818340
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 24818185
[4-(3-Chlorophenyl)piperazin-1-yl]-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanone
CID 25162048
5-(4-chloro-2-ethoxyphenyl)-N-[(1R,3S)-3-hydroxycyclohexyl]-4-methyl-1,2-oxazole-3-carboxamide
CID 25182893
N-[2-(4-chlorophenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2078310
N-[(3-chlorophenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 2096281
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-methylphenyl)methyl]benzamide
CID 2103554
[2-[(2-Chlorophenyl)methylamino]-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 2457722
N-benzyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 2557396

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide (CID 24980808) is N-[2-(4-chlorophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide is Cc1noc(C)c1COc1ccccc1C(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The InChIKey is QKNUSHVQBLLINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O3/c1-14-19(15(2)27-24-14)13-26-20-6-4-3-5-18(20)21(25)23-12-11-16-7-9-17(22)10-8-16/h3-10H,11-13H2,1-2H3,(H,23,25).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
N-[2-(4-chlorophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide has a molecular weight of 384.86 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide is sourced from PubChem (CID 24980808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).