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

C24H25F3N2O4 — CID 45486779

IUPACtrans-(1R,2R)-2-[5-(hydroxymethyl)-5-phenyl-4H-1,2-oxazol-3-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide
SMILESO=C(NCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[C@H]1C1=NOC(CO)(c2ccccc2)C1
InChIInChI=1S/C24H25F3N2O4/c25-24(26,27)32-18-11-9-16(10-12-18)14-28-22(31)20-8-4-7-19(20)21-13-23(15-30,33-29-21)17-5-2-1-3-6-17/h1-3,5-6,9-12,19-20,30H,4,7-8,13-15H2,(H,28,31)/t19-,20-,23?/m1/s1
InChIKeyOZOCKEMYJZNKNQ-VJOPYQGCSA-N
MW462.47 g/mol
LogP4.28
Rot. Bonds7

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

trans-(1R,2R)-2-[5-(hydroxymethyl)-5-phenyl-4H-1,2-oxazol-3-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide (PubChem CID 45486779) has the molecular formula C24H25F3N2O4 and a molecular weight of 462.47 g/mol. Its IUPAC name is trans-(1R,2R)-2-[5-(hydroxymethyl)-5-phenyl-4H-1,2-oxazol-3-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[5-(hydroxymethyl)-5-phenyl-4H-1,2-oxazol-3-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide
PubChem CID45486779
Molecular FormulaC24H25F3N2O4
Molecular Weight462.47 g/mol
Exact Mass462.18
IUPAC Nametrans-(1R,2R)-2-[5-(hydroxymethyl)-5-phenyl-4H-1,2-oxazol-3-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide
SMILESO=C(NCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[C@H]1C1=NOC(CO)(c2ccccc2)C1
InChIInChI=1S/C24H25F3N2O4/c25-24(26,27)32-18-11-9-16(10-12-18)14-28-22(31)20-8-4-7-19(20)21-13-23(15-30,33-29-21)17-5-2-1-3-6-17/h1-3,5-6,9-12,19-20,30H,4,7-8,13-15H2,(H,28,31)/t19-,20-,23?/m1/s1
InChIKeyOZOCKEMYJZNKNQ-VJOPYQGCSA-N
XLogP4.28
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.47
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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(3aR,4R,6R,7R,7aR)-N-benzyl-6,7-dihydroxy-2-sulfanylidene-3-[4-(trifluoromethoxy)phenyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole-4-carboxamide
CID 40780850
(3R)-N-benzyl-5-oxo-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[5-(hydroxymethyl)-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-(hydroxymethyl)-5-phenyl-4H-1,2-oxazol-3-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide (CID 45486779) is trans-(1R,2R)-2-[5-(hydroxymethyl)-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-(hydroxymethyl)-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-(hydroxymethyl)-5-phenyl-4H-1,2-oxazol-3-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide is O=C(NCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[C@H]1C1=NOC(CO)(c2ccccc2)C1.
What is the InChIKey of trans-(1R,2R)-2-[5-(hydroxymethyl)-5-phenyl-4H-1,2-oxazol-3-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide?
The InChIKey is OZOCKEMYJZNKNQ-VJOPYQGCSA-N. The full InChI is InChI=1S/C24H25F3N2O4/c25-24(26,27)32-18-11-9-16(10-12-18)14-28-22(31)20-8-4-7-19(20)21-13-23(15-30,33-29-21)17-5-2-1-3-6-17/h1-3,5-6,9-12,19-20,30H,4,7-8,13-15H2,(H,28,31)/t19-,20-,23?/m1/s1.
What are the key properties of trans-(1R,2R)-2-[5-(hydroxymethyl)-5-phenyl-4H-1,2-oxazol-3-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide?
trans-(1R,2R)-2-[5-(hydroxymethyl)-5-phenyl-4H-1,2-oxazol-3-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide has a molecular weight of 462.47 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[5-(hydroxymethyl)-5-phenyl-4H-1,2-oxazol-3-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 45486779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).