trans-(1R,2R)-2-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide

C23H23F3N2O3 — CID 44555494

IUPACtrans-(1R,2R)-2-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide
SMILESO=C(NCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[C@H]1C1=NCC(c2ccccc2)O1
InChIInChI=1S/C23H23F3N2O3/c24-23(25,26)31-17-11-9-15(10-12-17)13-27-21(29)18-7-4-8-19(18)22-28-14-20(30-22)16-5-2-1-3-6-16/h1-3,5-6,9-12,18-20H,4,7-8,13-14H2,(H,27,29)/t18-,19-,20?/m1/s1
InChIKeyBTBRRYLOEDLJFE-LEAGNCFPSA-N
MW432.44 g/mol
LogP4.79
Rot. Bonds6

About trans-(1R,2R)-2-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide

trans-(1R,2R)-2-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide (PubChem CID 44555494) has the molecular formula C23H23F3N2O3 and a molecular weight of 432.44 g/mol. Its IUPAC name is trans-(1R,2R)-2-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide
PubChem CID44555494
Molecular FormulaC23H23F3N2O3
Molecular Weight432.44 g/mol
Exact Mass432.17
IUPAC Nametrans-(1R,2R)-2-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide
SMILESO=C(NCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[C@H]1C1=NCC(c2ccccc2)O1
InChIInChI=1S/C23H23F3N2O3/c24-23(25,26)31-17-11-9-15(10-12-17)13-27-21(29)18-7-4-8-19(18)22-28-14-20(30-22)16-5-2-1-3-6-16/h1-3,5-6,9-12,18-20H,4,7-8,13-14H2,(H,27,29)/t18-,19-,20?/m1/s1
InChIKeyBTBRRYLOEDLJFE-LEAGNCFPSA-N
XLogP4.79
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide (CID 44555494) is trans-(1R,2R)-2-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide is O=C(NCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[C@H]1C1=NCC(c2ccccc2)O1.
What is the InChIKey of trans-(1R,2R)-2-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide?
The InChIKey is BTBRRYLOEDLJFE-LEAGNCFPSA-N. The full InChI is InChI=1S/C23H23F3N2O3/c24-23(25,26)31-17-11-9-15(10-12-17)13-27-21(29)18-7-4-8-19(18)22-28-14-20(30-22)16-5-2-1-3-6-16/h1-3,5-6,9-12,18-20H,4,7-8,13-14H2,(H,27,29)/t18-,19-,20?/m1/s1.
What are the key properties of trans-(1R,2R)-2-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide?
trans-(1R,2R)-2-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide has a molecular weight of 432.44 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 44555494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).