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

C24H25F3N2O3 — CID 44555493

IUPACtrans-(1R,2R)-2-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide
SMILESCC1(c2ccccc2)CC([C@@H]2CCC[C@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)=NO1
InChIInChI=1S/C24H25F3N2O3/c1-23(17-6-3-2-4-7-17)14-21(29-32-23)19-8-5-9-20(19)22(30)28-15-16-10-12-18(13-11-16)31-24(25,26)27/h2-4,6-7,10-13,19-20H,5,8-9,14-15H2,1H3,(H,28,30)/t19-,20-,23?/m1/s1
InChIKeyWSSCBXUCVDQSDB-VJOPYQGCSA-N
MW446.47 g/mol
LogP5.31
Rot. Bonds6

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

trans-(1R,2R)-2-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide (PubChem CID 44555493) has the molecular formula C24H25F3N2O3 and a molecular weight of 446.47 g/mol. Its IUPAC name is trans-(1R,2R)-2-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide
PubChem CID44555493
Molecular FormulaC24H25F3N2O3
Molecular Weight446.47 g/mol
Exact Mass446.18
IUPAC Nametrans-(1R,2R)-2-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide
SMILESCC1(c2ccccc2)CC([C@@H]2CCC[C@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)=NO1
InChIInChI=1S/C24H25F3N2O3/c1-23(17-6-3-2-4-7-17)14-21(29-32-23)19-8-5-9-20(19)22(30)28-15-16-10-12-18(13-11-16)31-24(25,26)27/h2-4,6-7,10-13,19-20H,5,8-9,14-15H2,1H3,(H,28,30)/t19-,20-,23?/m1/s1
InChIKeyWSSCBXUCVDQSDB-VJOPYQGCSA-N
XLogP5.31
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.47
LogP ≤ 55.31
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-methyl-5-phenyl-4H-1,2-oxazol-3-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide (CID 44555493) is trans-(1R,2R)-2-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide is CC1(c2ccccc2)CC([C@@H]2CCC[C@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)=NO1.
What is the InChIKey of trans-(1R,2R)-2-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide?
The InChIKey is WSSCBXUCVDQSDB-VJOPYQGCSA-N. The full InChI is InChI=1S/C24H25F3N2O3/c1-23(17-6-3-2-4-7-17)14-21(29-32-23)19-8-5-9-20(19)22(30)28-15-16-10-12-18(13-11-16)31-24(25,26)27/h2-4,6-7,10-13,19-20H,5,8-9,14-15H2,1H3,(H,28,30)/t19-,20-,23?/m1/s1.
What are the key properties of trans-(1R,2R)-2-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide?
trans-(1R,2R)-2-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide has a molecular weight of 446.47 g/mol, XLogP of 5.31, 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-methyl-5-phenyl-4H-1,2-oxazol-3-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 44555493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).