N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide

C20H16ClF3N2O3 — CID 19488191

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1cccc(OCc2c(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)noc2C)c1
InChIInChI=1S/C20H16ClF3N2O3/c1-11-4-3-5-14(8-11)28-10-15-12(2)29-26-18(15)19(27)25-13-6-7-17(21)16(9-13)20(22,23)24/h3-9H,10H2,1-2H3,(H,25,27)
InChIKeyLGNRGXHCPPVPOU-UHFFFAOYSA-N
MW424.81 g/mol
LogP5.79
Rot. Bonds5

About N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 19488191) has the molecular formula C20H16ClF3N2O3 and a molecular weight of 424.81 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
PubChem CID19488191
Molecular FormulaC20H16ClF3N2O3
Molecular Weight424.81 g/mol
Exact Mass424.08
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1cccc(OCc2c(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)noc2C)c1
InChIInChI=1S/C20H16ClF3N2O3/c1-11-4-3-5-14(8-11)28-10-15-12(2)29-26-18(15)19(27)25-13-6-7-17(21)16(9-13)20(22,23)24/h3-9H,10H2,1-2H3,(H,25,27)
InChIKeyLGNRGXHCPPVPOU-UHFFFAOYSA-N
XLogP5.79
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.81
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19492489
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488483
N-(3-fluoro-4-methylphenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488236
N-(3,4-dichlorophenyl)-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19492520
N-(4-acetylphenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488246
N-(4-ethylphenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488250
4-[(3-chlorophenoxy)methyl]-5-methyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 19443900
4-[(3,5-dimethylphenoxy)methyl]-N-(3-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19444262
4-[(4-chloropyrazol-1-yl)methyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19441940
4-[(2-chlorophenoxy)methyl]-5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 19443353
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(3-methylphenoxy)benzamide
CID 16650954
4-[(4-ethylphenoxy)methyl]-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 19444496

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide (CID 19488191) is N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide is Cc1cccc(OCc2c(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)noc2C)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is LGNRGXHCPPVPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF3N2O3/c1-11-4-3-5-14(8-11)28-10-15-12(2)29-26-18(15)19(27)25-13-6-7-17(21)16(9-13)20(22,23)24/h3-9H,10H2,1-2H3,(H,25,27).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 424.81 g/mol, XLogP of 5.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19488191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).