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

C26H21F3N2O2 — CID 71085830

IUPACN-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-1-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(NC1=C(c2ccccc2)NC(c2ccccc2)O1)C1(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C26H21F3N2O2/c27-26(28,29)20-14-8-7-13-19(20)25(15-16-25)24(32)31-23-21(17-9-3-1-4-10-17)30-22(33-23)18-11-5-2-6-12-18/h1-14,22,30H,15-16H2,(H,31,32)
InChIKeyMHWRGWVIPYLROW-UHFFFAOYSA-N
MW450.46 g/mol
LogP5.50
Rot. Bonds5

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

N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-1-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 71085830) has the molecular formula C26H21F3N2O2 and a molecular weight of 450.46 g/mol. Its IUPAC name is N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-1-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-1-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID71085830
Molecular FormulaC26H21F3N2O2
Molecular Weight450.46 g/mol
Exact Mass450.16
IUPAC NameN-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-1-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(NC1=C(c2ccccc2)NC(c2ccccc2)O1)C1(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C26H21F3N2O2/c27-26(28,29)20-14-8-7-13-19(20)25(15-16-25)24(32)31-23-21(17-9-3-1-4-10-17)30-22(33-23)18-11-5-2-6-12-18/h1-14,22,30H,15-16H2,(H,31,32)
InChIKeyMHWRGWVIPYLROW-UHFFFAOYSA-N
XLogP5.50
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.46
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 9846176
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CID 22978529
CID 22978529
CID 57789828
CID 57789828
CID 71085653
CID 71085653
CID 71085664
CID 71085664
CID 71085665
CID 71085665
CID 71085668
CID 71085668
CID 71085672
CID 71085672
CID 30855901
CID 30855901
CID 33973801
CID 33973801
CID 55762964
CID 55762964

Frequently Asked Questions

What is the IUPAC name of N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-1-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-1-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 71085830) is N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-1-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-1-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-1-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is O=C(NC1=C(c2ccccc2)NC(c2ccccc2)O1)C1(c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-1-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is MHWRGWVIPYLROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N2O2/c27-26(28,29)20-14-8-7-13-19(20)25(15-16-25)24(32)31-23-21(17-9-3-1-4-10-17)30-22(33-23)18-11-5-2-6-12-18/h1-14,22,30H,15-16H2,(H,31,32).
What are the key properties of N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-1-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-1-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 450.46 g/mol, XLogP of 5.50, 5 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-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 71085830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).