N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-(trifluoromethoxy)benzamide

C21H13F3N2O3 — CID 16580992

IUPACN-[4-(1,3-benzoxazol-2-yl)phenyl]-4-(trifluoromethoxy)benzamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C21H13F3N2O3/c22-21(23,24)29-16-11-7-13(8-12-16)19(27)25-15-9-5-14(6-10-15)20-26-17-3-1-2-4-18(17)28-20/h1-12H,(H,25,27)
InChIKeyUHOQAGKWWLYNCI-UHFFFAOYSA-N
MW398.34 g/mol
LogP5.65
Rot. Bonds4

About N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-(trifluoromethoxy)benzamide

N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-(trifluoromethoxy)benzamide (PubChem CID 16580992) has the molecular formula C21H13F3N2O3 and a molecular weight of 398.34 g/mol. Its IUPAC name is N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-4-(trifluoromethoxy)benzamide
PubChem CID16580992
Molecular FormulaC21H13F3N2O3
Molecular Weight398.34 g/mol
Exact Mass398.09
IUPAC NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-4-(trifluoromethoxy)benzamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C21H13F3N2O3/c22-21(23,24)29-16-11-7-13(8-12-16)19(27)25-15-9-5-14(6-10-15)20-26-17-3-1-2-4-18(17)28-20/h1-12H,(H,25,27)
InChIKeyUHOQAGKWWLYNCI-UHFFFAOYSA-N
XLogP5.65
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.34
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-[4-(1,3-benzoxazol-2-yl)anilino]-2-oxoethyl]sulfanylphenyl]-4-methoxybenzamide
CID 23100939
N-[4-(5-benzamido-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 53356244
N-[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-dimethoxybenzamide
CID 1114221
2-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazole-5-carboxylic acid
CID 11688381
4-(acetamidomethyl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]benzamide
CID 46691878
N-[4-(1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide
CID 778969
4-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 5017384
N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 762785
N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 41363687
N-[4-[2-[4-(1,3-benzoxazol-2-yl)anilino]-2-oxo-1-phenylethyl]sulfanylphenyl]-4-methoxybenzamide
CID 21171071
4-methoxy-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 1326852
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-(trifluoromethoxy)benzamide (CID 16580992) is N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-(trifluoromethoxy)benzamide is O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is UHOQAGKWWLYNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F3N2O3/c22-21(23,24)29-16-11-7-13(8-12-16)19(27)25-15-9-5-14(6-10-15)20-26-17-3-1-2-4-18(17)28-20/h1-12H,(H,25,27).
What are the key properties of N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-(trifluoromethoxy)benzamide?
N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 398.34 g/mol, XLogP of 5.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 16580992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).