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

C20H17F3N2O2 — CID 71085672

IUPACN-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESO=C(NC1=C(c2ccccc2)NC(c2ccccc2)O1)C1(C(F)(F)F)CC1
InChIInChI=1S/C20H17F3N2O2/c21-20(22,23)19(11-12-19)18(26)25-17-15(13-7-3-1-4-8-13)24-16(27-17)14-9-5-2-6-10-14/h1-10,16,24H,11-12H2,(H,25,26)
InChIKeyICPZSFLUNDHNBA-UHFFFAOYSA-N
MW374.36 g/mol
LogP4.09
Rot. Bonds4

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

N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide (PubChem CID 71085672) has the molecular formula C20H17F3N2O2 and a molecular weight of 374.36 g/mol. Its IUPAC name is N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide
PubChem CID71085672
Molecular FormulaC20H17F3N2O2
Molecular Weight374.36 g/mol
Exact Mass374.12
IUPAC NameN-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESO=C(NC1=C(c2ccccc2)NC(c2ccccc2)O1)C1(C(F)(F)F)CC1
InChIInChI=1S/C20H17F3N2O2/c21-20(22,23)19(11-12-19)18(26)25-17-15(13-7-3-1-4-8-13)24-16(27-17)14-9-5-2-6-10-14/h1-10,16,24H,11-12H2,(H,25,26)
InChIKeyICPZSFLUNDHNBA-UHFFFAOYSA-N
XLogP4.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-3-(trifluoromethyl)benzamide
CID 71085653
N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-4-fluorobenzamide
CID 71085664
N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-2-(trifluoromethyl)benzamide
CID 71085665
N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-2,2-difluorocyclopropane-1-carboxamide
CID 71085668
N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-1-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 71085830
N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 143726600
2,2-difluoro-N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]cyclopropane-1-carboxamide
CID 143726664
N-methyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-oxazol-5-amine;2,2,2-trifluoroacetaldehyde
CID 143726678
benzyl N-[[2-fluoro-4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]methyl]carbamate
CID 172473864
benzyl N-[4-oxo-4-[(2,2,2-trifluoro-1-phenylethyl)amino]butyl]carbamate
CID 55882328
benzyl N-[4-oxo-4-[[4-(trifluoromethyl)phenyl]methylamino]butyl]carbamate
CID 60494367
benzyl N-[2-[benzyl-(2,2,2-trifluoroacetyl)amino]cyclopent-2-en-1-yl]carbamate
CID 102453670

Frequently Asked Questions

What is the IUPAC name of N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide (CID 71085672) is N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide is O=C(NC1=C(c2ccccc2)NC(c2ccccc2)O1)C1(C(F)(F)F)CC1.
What is the InChIKey of N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The InChIKey is ICPZSFLUNDHNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O2/c21-20(22,23)19(11-12-19)18(26)25-17-15(13-7-3-1-4-8-13)24-16(27-17)14-9-5-2-6-10-14/h1-10,16,24H,11-12H2,(H,25,26).
What are the key properties of N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide?
N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide has a molecular weight of 374.36 g/mol, XLogP of 4.09, 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)-1-(trifluoromethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 71085672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).