4-[5-chloro-2-(trifluoromethyl)-1,3-oxazol-4-yl]-N-methyl-N-(2-phenoxyethyl)benzamide

C20H16ClF3N2O3 — CID 139466647

IUPAC4-[5-chloro-2-(trifluoromethyl)-1,3-oxazol-4-yl]-N-methyl-N-(2-phenoxyethyl)benzamide
SMILESCN(CCOc1ccccc1)C(=O)c1ccc(-c2nc(C(F)(F)F)oc2Cl)cc1
InChIInChI=1S/C20H16ClF3N2O3/c1-26(11-12-28-15-5-3-2-4-6-15)18(27)14-9-7-13(8-10-14)16-17(21)29-19(25-16)20(22,23)24/h2-10H,11-12H2,1H3
InChIKeyDTNTZPDDWZQXJT-UHFFFAOYSA-N
MW424.81 g/mol
LogP5.16
Rot. Bonds6

About 4-[5-chloro-2-(trifluoromethyl)-1,3-oxazol-4-yl]-N-methyl-N-(2-phenoxyethyl)benzamide

4-[5-chloro-2-(trifluoromethyl)-1,3-oxazol-4-yl]-N-methyl-N-(2-phenoxyethyl)benzamide (PubChem CID 139466647) has the molecular formula C20H16ClF3N2O3 and a molecular weight of 424.81 g/mol. Its IUPAC name is 4-[5-chloro-2-(trifluoromethyl)-1,3-oxazol-4-yl]-N-methyl-N-(2-phenoxyethyl)benzamide.

Molecular Properties

Compound Name4-[5-chloro-2-(trifluoromethyl)-1,3-oxazol-4-yl]-N-methyl-N-(2-phenoxyethyl)benzamide
PubChem CID139466647
Molecular FormulaC20H16ClF3N2O3
Molecular Weight424.81 g/mol
Exact Mass424.08
IUPAC Name4-[5-chloro-2-(trifluoromethyl)-1,3-oxazol-4-yl]-N-methyl-N-(2-phenoxyethyl)benzamide
SMILESCN(CCOc1ccccc1)C(=O)c1ccc(-c2nc(C(F)(F)F)oc2Cl)cc1
InChIInChI=1S/C20H16ClF3N2O3/c1-26(11-12-28-15-5-3-2-4-6-15)18(27)14-9-7-13(8-10-14)16-17(21)29-19(25-16)20(22,23)24/h2-10H,11-12H2,1H3
InChIKeyDTNTZPDDWZQXJT-UHFFFAOYSA-N
XLogP5.16
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.81
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 60676178
methyl 4-[5-chloro-2-(trifluoromethyl)-1,3-oxazol-4-yl]benzoate
CID 139466538
N-[2-(4-fluorophenoxy)ethyl]-N-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 134031095
N-[2-(4-chlorophenoxy)ethyl]-4-ethyl-N-methylbenzamide
CID 112792734
6-chloro-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyridine-3-carboxamide
CID 60676105
4-[2-(methanesulfonamido)ethyl]-N-methyl-N-(2-phenoxyethyl)benzamide
CID 18113163
4-iodo-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 60676165
6-chloro-N-methyl-N-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 61042256
N,N-dimethyl-4-(2-phenoxyethoxy)benzamide
CID 28639806
N-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-(2-phenoxyethyl)benzamide
CID 42093540
N-[2-(3,4-dimethylphenoxy)ethyl]-N-methylbenzamide
CID 178089820
2-bromo-N-methyl-N-(2-phenoxyethyl)pyridine-4-carboxamide
CID 103751913

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-2-(trifluoromethyl)-1,3-oxazol-4-yl]-N-methyl-N-(2-phenoxyethyl)benzamide?
The IUPAC name of 4-[5-chloro-2-(trifluoromethyl)-1,3-oxazol-4-yl]-N-methyl-N-(2-phenoxyethyl)benzamide (CID 139466647) is 4-[5-chloro-2-(trifluoromethyl)-1,3-oxazol-4-yl]-N-methyl-N-(2-phenoxyethyl)benzamide.
What is the SMILES notation for 4-[5-chloro-2-(trifluoromethyl)-1,3-oxazol-4-yl]-N-methyl-N-(2-phenoxyethyl)benzamide?
The canonical SMILES for 4-[5-chloro-2-(trifluoromethyl)-1,3-oxazol-4-yl]-N-methyl-N-(2-phenoxyethyl)benzamide is CN(CCOc1ccccc1)C(=O)c1ccc(-c2nc(C(F)(F)F)oc2Cl)cc1.
What is the InChIKey of 4-[5-chloro-2-(trifluoromethyl)-1,3-oxazol-4-yl]-N-methyl-N-(2-phenoxyethyl)benzamide?
The InChIKey is DTNTZPDDWZQXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF3N2O3/c1-26(11-12-28-15-5-3-2-4-6-15)18(27)14-9-7-13(8-10-14)16-17(21)29-19(25-16)20(22,23)24/h2-10H,11-12H2,1H3.
What are the key properties of 4-[5-chloro-2-(trifluoromethyl)-1,3-oxazol-4-yl]-N-methyl-N-(2-phenoxyethyl)benzamide?
4-[5-chloro-2-(trifluoromethyl)-1,3-oxazol-4-yl]-N-methyl-N-(2-phenoxyethyl)benzamide has a molecular weight of 424.81 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-2-(trifluoromethyl)-1,3-oxazol-4-yl]-N-methyl-N-(2-phenoxyethyl)benzamide is sourced from PubChem (CID 139466647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).