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

C20H19ClN2O3 — CID 2096281

IUPACN-[(3-chlorophenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
SMILESCc1noc(C)c1COc1cccc(C(=O)NCc2cccc(Cl)c2)c1
InChIInChI=1S/C20H19ClN2O3/c1-13-19(14(2)26-23-13)12-25-18-8-4-6-16(10-18)20(24)22-11-15-5-3-7-17(21)9-15/h3-10H,11-12H2,1-2H3,(H,22,24)
InChIKeyUQSCNTWEOZTKSR-UHFFFAOYSA-N
MW370.84 g/mol
LogP4.45
Rot. Bonds6

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

N-[(3-chlorophenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide (PubChem CID 2096281) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
PubChem CID2096281
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC NameN-[(3-chlorophenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
SMILESCc1noc(C)c1COc1cccc(C(=O)NCc2cccc(Cl)c2)c1
InChIInChI=1S/C20H19ClN2O3/c1-13-19(14(2)26-23-13)12-25-18-8-4-6-16(10-18)20(24)22-11-15-5-3-7-17(21)9-15/h3-10H,11-12H2,1-2H3,(H,22,24)
InChIKeyUQSCNTWEOZTKSR-UHFFFAOYSA-N
XLogP4.45
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.45
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
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
N-tert-butyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 2111790
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-methylcyclohexyl)benzamide
CID 24818340
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylphenyl)benzamide
CID 2598908
[4-(3-Chlorophenyl)piperazin-1-yl]-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanone
CID 25162048
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 2097552
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
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-methylphenyl)benzamide
CID 2664711
N-(4-chlorobenzyl)-5-(2-methoxyphenyl)isoxazole-3-carboxamide
CID 3241352

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide (CID 2096281) is N-[(3-chlorophenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide is Cc1noc(C)c1COc1cccc(C(=O)NCc2cccc(Cl)c2)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The InChIKey is UQSCNTWEOZTKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-13-19(14(2)26-23-13)12-25-18-8-4-6-16(10-18)20(24)22-11-15-5-3-7-17(21)9-15/h3-10H,11-12H2,1-2H3,(H,22,24).
What are the key properties of N-[(3-chlorophenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
N-[(3-chlorophenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide has a molecular weight of 370.84 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide is sourced from PubChem (CID 2096281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).