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

C17H11F3N2O2 — CID 2810455

IUPACN-[3-(1,3-oxazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(-c2cnco2)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H11F3N2O2/c18-17(19,20)13-6-4-11(5-7-13)16(23)22-14-3-1-2-12(8-14)15-9-21-10-24-15/h1-10H,(H,22,23)
InChIKeyTWAVYDRSRJZCEV-UHFFFAOYSA-N
MW332.28 g/mol
LogP4.61
Rot. Bonds3

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

N-[3-(1,3-oxazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide (PubChem CID 2810455) has the molecular formula C17H11F3N2O2 and a molecular weight of 332.28 g/mol. Its IUPAC name is N-[3-(1,3-oxazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(1,3-oxazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide
PubChem CID2810455
Molecular FormulaC17H11F3N2O2
Molecular Weight332.28 g/mol
Exact Mass332.08
IUPAC NameN-[3-(1,3-oxazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(-c2cnco2)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H11F3N2O2/c18-17(19,20)13-6-4-11(5-7-13)16(23)22-14-3-1-2-12(8-14)15-9-21-10-24-15/h1-10H,(H,22,23)
InChIKeyTWAVYDRSRJZCEV-UHFFFAOYSA-N
XLogP4.61
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-oxazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(1,3-oxazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide (CID 2810455) is N-[3-(1,3-oxazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(1,3-oxazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(1,3-oxazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide is O=C(Nc1cccc(-c2cnco2)c1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[3-(1,3-oxazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is TWAVYDRSRJZCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O2/c18-17(19,20)13-6-4-11(5-7-13)16(23)22-14-3-1-2-12(8-14)15-9-21-10-24-15/h1-10H,(H,22,23).
What are the key properties of N-[3-(1,3-oxazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide?
N-[3-(1,3-oxazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide has a molecular weight of 332.28 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-oxazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 2810455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).