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

C19H15F3N2O4 — CID 20963811

IUPAC5-(3,4-dimethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(-c2ocnc2C(=O)Nc2ccccc2C(F)(F)F)cc1OC
InChIInChI=1S/C19H15F3N2O4/c1-26-14-8-7-11(9-15(14)27-2)17-16(23-10-28-17)18(25)24-13-6-4-3-5-12(13)19(20,21)22/h3-10H,1-2H3,(H,24,25)
InChIKeyOMCSHCQJWVNMQX-UHFFFAOYSA-N
MW392.33 g/mol
LogP4.63
Rot. Bonds5

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

5-(3,4-dimethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 20963811) has the molecular formula C19H15F3N2O4 and a molecular weight of 392.33 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
PubChem CID20963811
Molecular FormulaC19H15F3N2O4
Molecular Weight392.33 g/mol
Exact Mass392.10
IUPAC Name5-(3,4-dimethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(-c2ocnc2C(=O)Nc2ccccc2C(F)(F)F)cc1OC
InChIInChI=1S/C19H15F3N2O4/c1-26-14-8-7-11(9-15(14)27-2)17-16(23-10-28-17)18(25)24-13-6-4-3-5-12(13)19(20,21)22/h3-10H,1-2H3,(H,24,25)
InChIKeyOMCSHCQJWVNMQX-UHFFFAOYSA-N
XLogP4.63
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.33
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3,4-dimethoxyphenyl)-N-naphthalen-1-yl-1,3-oxazole-4-carboxamide
CID 126471311
5-(3,4-dimethoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide
CID 126468364
5-(3,4-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-1,3-oxazole-4-carboxamide
CID 20963840
5-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)-1,3-oxazole-4-carboxamide
CID 20963827
5-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)-1,3-oxazole-4-carboxamide
CID 6489736
5-(3,4-dimethoxyphenyl)-N-(3,5-dimethylphenyl)-1,3-oxazole-4-carboxamide
CID 20963848
5-(3,4-dimethoxyphenyl)-N-(3,5-dimethoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963825
N-(3-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963819
5-(4-methoxyphenyl)-N-(2-methylphenyl)-1,3-oxazole-4-carboxamide
CID 20963550
4-[(2-methoxyphenoxy)methyl]-5-methyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 19442790
6-methoxy-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 90509411
1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 86609606

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide (CID 20963811) is 5-(3,4-dimethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide is COc1ccc(-c2ocnc2C(=O)Nc2ccccc2C(F)(F)F)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is OMCSHCQJWVNMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O4/c1-26-14-8-7-11(9-15(14)27-2)17-16(23-10-28-17)18(25)24-13-6-4-3-5-12(13)19(20,21)22/h3-10H,1-2H3,(H,24,25).
What are the key properties of 5-(3,4-dimethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
5-(3,4-dimethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 392.33 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 20963811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).