N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-3-(trifluoromethyl)benzamide

C23H17F3N2O2 — CID 71085653

IUPACN-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-3-(trifluoromethyl)benzamide
SMILESO=C(NC1=C(c2ccccc2)NC(c2ccccc2)O1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H17F3N2O2/c24-23(25,26)18-13-7-12-17(14-18)20(29)28-22-19(15-8-3-1-4-9-15)27-21(30-22)16-10-5-2-6-11-16/h1-14,21,27H,(H,28,29)
InChIKeyLHVPMKPKKZWSMB-UHFFFAOYSA-N
MW410.40 g/mol
LogP5.08
Rot. Bonds4

About N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-3-(trifluoromethyl)benzamide

N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-3-(trifluoromethyl)benzamide (PubChem CID 71085653) has the molecular formula C23H17F3N2O2 and a molecular weight of 410.40 g/mol. Its IUPAC name is N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-3-(trifluoromethyl)benzamide
PubChem CID71085653
Molecular FormulaC23H17F3N2O2
Molecular Weight410.40 g/mol
Exact Mass410.12
IUPAC NameN-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-3-(trifluoromethyl)benzamide
SMILESO=C(NC1=C(c2ccccc2)NC(c2ccccc2)O1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H17F3N2O2/c24-23(25,26)18-13-7-12-17(14-18)20(29)28-22-19(15-8-3-1-4-9-15)27-21(30-22)16-10-5-2-6-11-16/h1-14,21,27H,(H,28,29)
InChIKeyLHVPMKPKKZWSMB-UHFFFAOYSA-N
XLogP5.08
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.40
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 4187184
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CID 134951265
CID 134951265
CID 11949586
CID 11949586
CID 11949587
CID 11949587
CID 177663479
CID 177663479
CID 4107503
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CID 5122085
CID 5122085
CID 19578673
CID 19578673

Frequently Asked Questions

What is the IUPAC name of N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-3-(trifluoromethyl)benzamide (CID 71085653) is N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-3-(trifluoromethyl)benzamide is O=C(NC1=C(c2ccccc2)NC(c2ccccc2)O1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-3-(trifluoromethyl)benzamide?
The InChIKey is LHVPMKPKKZWSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2O2/c24-23(25,26)18-13-7-12-17(14-18)20(29)28-22-19(15-8-3-1-4-9-15)27-21(30-22)16-10-5-2-6-11-16/h1-14,21,27H,(H,28,29).
What are the key properties of N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-3-(trifluoromethyl)benzamide?
N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-3-(trifluoromethyl)benzamide has a molecular weight of 410.40 g/mol, XLogP of 5.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 71085653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).