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

C19H14ClF3N2O3 — CID 19443353

IUPAC4-[(2-chlorophenoxy)methyl]-5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)Nc2ccc(C(F)(F)F)cc2)c1COc1ccccc1Cl
InChIInChI=1S/C19H14ClF3N2O3/c1-11-14(10-27-16-5-3-2-4-15(16)20)17(25-28-11)18(26)24-13-8-6-12(7-9-13)19(21,22)23/h2-9H,10H2,1H3,(H,24,26)
InChIKeyXNCFZEOMHOTHOL-UHFFFAOYSA-N
MW410.78 g/mol
LogP5.49
Rot. Bonds5

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

4-[(2-chlorophenoxy)methyl]-5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 19443353) has the molecular formula C19H14ClF3N2O3 and a molecular weight of 410.78 g/mol. Its IUPAC name is 4-[(2-chlorophenoxy)methyl]-5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-[(2-chlorophenoxy)methyl]-5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
PubChem CID19443353
Molecular FormulaC19H14ClF3N2O3
Molecular Weight410.78 g/mol
Exact Mass410.06
IUPAC Name4-[(2-chlorophenoxy)methyl]-5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)Nc2ccc(C(F)(F)F)cc2)c1COc1ccccc1Cl
InChIInChI=1S/C19H14ClF3N2O3/c1-11-14(10-27-16-5-3-2-4-15(16)20)17(25-28-11)18(26)24-13-8-6-12(7-9-13)19(21,22)23/h2-9H,10H2,1H3,(H,24,26)
InChIKeyXNCFZEOMHOTHOL-UHFFFAOYSA-N
XLogP5.49
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.78
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-chlorophenoxy)methyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443297
4-[(2-chlorophenoxy)methyl]-N-(3-chlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19443404
4-[(2-chlorophenoxy)methyl]-5-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 19443427
4-[(2-fluorophenoxy)methyl]-5-methyl-N-phenyl-1,2-oxazole-3-carboxamide
CID 19490191
N-(4-methoxyphenyl)-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19443003
N-(3,4-dichlorophenyl)-4-[(2,4-difluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19483868
4-[(2-chlorophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443497
4-[(2-methoxyphenoxy)methyl]-5-methyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 19442790
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488483
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488191
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19492489
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-[(2-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443444

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenoxy)methyl]-5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-[(2-chlorophenoxy)methyl]-5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide (CID 19443353) is 4-[(2-chlorophenoxy)methyl]-5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-[(2-chlorophenoxy)methyl]-5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-[(2-chlorophenoxy)methyl]-5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide is Cc1onc(C(=O)Nc2ccc(C(F)(F)F)cc2)c1COc1ccccc1Cl.
What is the InChIKey of 4-[(2-chlorophenoxy)methyl]-5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is XNCFZEOMHOTHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N2O3/c1-11-14(10-27-16-5-3-2-4-15(16)20)17(25-28-11)18(26)24-13-8-6-12(7-9-13)19(21,22)23/h2-9H,10H2,1H3,(H,24,26).
What are the key properties of 4-[(2-chlorophenoxy)methyl]-5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
4-[(2-chlorophenoxy)methyl]-5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 410.78 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenoxy)methyl]-5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19443353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).