4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole-2-carboxamide

C17H11F3N2O3 — CID 11371458

IUPAC4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole-2-carboxamide
SMILESNC(=O)c1nc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)co1
InChIInChI=1S/C17H11F3N2O3/c18-17(19,20)25-14-7-2-1-6-12(14)10-4-3-5-11(8-10)13-9-24-16(22-13)15(21)23/h1-9H,(H2,21,23)
InChIKeyVXBZBOIYYYVXOK-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.01
Rot. Bonds4

About 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole-2-carboxamide

4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole-2-carboxamide (PubChem CID 11371458) has the molecular formula C17H11F3N2O3 and a molecular weight of 348.28 g/mol. Its IUPAC name is 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound Name4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole-2-carboxamide
PubChem CID11371458
Molecular FormulaC17H11F3N2O3
Molecular Weight348.28 g/mol
Exact Mass348.07
IUPAC Name4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole-2-carboxamide
SMILESNC(=O)c1nc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)co1
InChIInChI=1S/C17H11F3N2O3/c18-17(19,20)25-14-7-2-1-6-12(14)10-4-3-5-11(8-10)13-9-24-16(22-13)15(21)23/h1-9H,(H2,21,23)
InChIKeyVXBZBOIYYYVXOK-UHFFFAOYSA-N
XLogP4.01
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide
CID 11360822
methyl 6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-2-carboxylate
CID 11394687
5-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide
CID 11291743
1-methyl-5-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3-carboxamide
CID 11302890
N-(2-amino-2-oxoethyl)-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide
CID 11258549
[2-oxo-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]ethyl] acetate
CID 58832520
N-[(2R)-1-amino-1-oxopropan-2-yl]-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide
CID 11270358
5-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine
CID 11209672
1-propan-2-yl-3-[4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazol-2-yl]urea
CID 11316139
1-fluoro-3-[2-(trifluoromethoxy)phenyl]benzene
CID 46313769
1-methyl-3-[2-(trifluoromethoxy)phenyl]benzene
CID 69482191
2-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 176514239

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole-2-carboxamide?
The IUPAC name of 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole-2-carboxamide (CID 11371458) is 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole-2-carboxamide.
What is the SMILES notation for 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole-2-carboxamide?
The canonical SMILES for 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole-2-carboxamide is NC(=O)c1nc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)co1.
What is the InChIKey of 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole-2-carboxamide?
The InChIKey is VXBZBOIYYYVXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O3/c18-17(19,20)25-14-7-2-1-6-12(14)10-4-3-5-11(8-10)13-9-24-16(22-13)15(21)23/h1-9H,(H2,21,23).
What are the key properties of 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole-2-carboxamide?
4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole-2-carboxamide has a molecular weight of 348.28 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 11371458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).