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

C19H13ClF4N2O3 — CID 19492489

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1COc1cccc(F)c1
InChIInChI=1S/C19H13ClF4N2O3/c1-10-14(9-28-13-4-2-3-11(21)7-13)17(26-29-10)18(27)25-12-5-6-16(20)15(8-12)19(22,23)24/h2-8H,9H2,1H3,(H,25,27)
InChIKeyXCGUNGQLFSGIET-UHFFFAOYSA-N
MW428.77 g/mol
LogP5.63
Rot. Bonds5

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

N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 19492489) has the molecular formula C19H13ClF4N2O3 and a molecular weight of 428.77 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID19492489
Molecular FormulaC19H13ClF4N2O3
Molecular Weight428.77 g/mol
Exact Mass428.06
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1COc1cccc(F)c1
InChIInChI=1S/C19H13ClF4N2O3/c1-10-14(9-28-13-4-2-3-11(21)7-13)17(26-29-10)18(27)25-12-5-6-16(20)15(8-12)19(22,23)24/h2-8H,9H2,1H3,(H,25,27)
InChIKeyXCGUNGQLFSGIET-UHFFFAOYSA-N
XLogP5.63
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.77
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488191
N-(3,4-dichlorophenyl)-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19492520
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488483
4-[(3-chlorophenoxy)methyl]-5-methyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 19443900
N-(3-fluoro-4-methylphenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488236
N-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19492737
N-(3,4-dichlorophenyl)-4-[(2,4-difluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19483868
4-[(3-fluorophenoxy)methyl]-5-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 19492599
N-(2,5-difluorophenyl)-5-methyl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
CID 17026191
N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19492523
4-[(4-ethylphenoxy)methyl]-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 19444496
N-(4-ethylphenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488250

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 19492489) is N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1onc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1COc1cccc(F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is XCGUNGQLFSGIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF4N2O3/c1-10-14(9-28-13-4-2-3-11(21)7-13)17(26-29-10)18(27)25-12-5-6-16(20)15(8-12)19(22,23)24/h2-8H,9H2,1H3,(H,25,27).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 428.77 g/mol, XLogP of 5.63, 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]-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19492489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).