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

C19H15F3N2O4 — CID 110402680

IUPACN-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-(trifluoromethyl)benzamide
SMILESCOc1ccc(-c2cnoc2NC(=O)c2ccc(C(F)(F)F)cc2)cc1OC
InChIInChI=1S/C19H15F3N2O4/c1-26-15-8-5-12(9-16(15)27-2)14-10-23-28-18(14)24-17(25)11-3-6-13(7-4-11)19(20,21)22/h3-10H,1-2H3,(H,24,25)
InChIKeyHWWLEFAHAWNQHY-UHFFFAOYSA-N
MW392.33 g/mol
LogP4.63
Rot. Bonds5

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

N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-(trifluoromethyl)benzamide (PubChem CID 110402680) has the molecular formula C19H15F3N2O4 and a molecular weight of 392.33 g/mol. Its IUPAC name is N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-(trifluoromethyl)benzamide
PubChem CID110402680
Molecular FormulaC19H15F3N2O4
Molecular Weight392.33 g/mol
Exact Mass392.10
IUPAC NameN-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-(trifluoromethyl)benzamide
SMILESCOc1ccc(-c2cnoc2NC(=O)c2ccc(C(F)(F)F)cc2)cc1OC
InChIInChI=1S/C19H15F3N2O4/c1-26-15-8-5-12(9-16(15)27-2)14-10-23-28-18(14)24-17(25)11-3-6-13(7-4-11)19(20,21)22/h3-10H,1-2H3,(H,24,25)
InChIKeyHWWLEFAHAWNQHY-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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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-(trifluoromethyl)benzamide (CID 110402680) is N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-(trifluoromethyl)benzamide is COc1ccc(-c2cnoc2NC(=O)c2ccc(C(F)(F)F)cc2)cc1OC.
What is the InChIKey of N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is HWWLEFAHAWNQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O4/c1-26-15-8-5-12(9-16(15)27-2)14-10-23-28-18(14)24-17(25)11-3-6-13(7-4-11)19(20,21)22/h3-10H,1-2H3,(H,24,25).
What are the key properties of N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-(trifluoromethyl)benzamide?
N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-(trifluoromethyl)benzamide 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 N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 110402680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).