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

C24H22F6N2O4 — CID 45486818

IUPACtrans-(1R,2R)-2-[5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-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(c2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C24H22F6N2O4/c25-23(26,27)34-16-8-4-14(5-9-16)13-31-22(33)19-3-1-2-18(19)20-12-21(36-32-20)15-6-10-17(11-7-15)35-24(28,29)30/h4-11,18-19,21H,1-3,12-13H2,(H,31,33)/t18-,19-,21?/m1/s1
InChIKeyITERKECVEHKRQM-AQFHOAJTSA-N
MW516.44 g/mol
LogP6.03
Rot. Bonds7

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

trans-(1R,2R)-2-[5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide (PubChem CID 45486818) has the molecular formula C24H22F6N2O4 and a molecular weight of 516.44 g/mol. Its IUPAC name is trans-(1R,2R)-2-[5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide
PubChem CID45486818
Molecular FormulaC24H22F6N2O4
Molecular Weight516.44 g/mol
Exact Mass516.15
IUPAC Nametrans-(1R,2R)-2-[5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-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(c2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C24H22F6N2O4/c25-23(26,27)34-16-8-4-14(5-9-16)13-31-22(33)19-3-1-2-18(19)20-12-21(36-32-20)15-6-10-17(11-7-15)35-24(28,29)30/h4-11,18-19,21H,1-3,12-13H2,(H,31,33)/t18-,19-,21?/m1/s1
InChIKeyITERKECVEHKRQM-AQFHOAJTSA-N
XLogP6.03
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.44
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-[5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide (CID 45486818) is trans-(1R,2R)-2-[5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-[5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-[5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-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(c2ccc(OC(F)(F)F)cc2)C1.
What is the InChIKey of trans-(1R,2R)-2-[5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide?
The InChIKey is ITERKECVEHKRQM-AQFHOAJTSA-N. The full InChI is InChI=1S/C24H22F6N2O4/c25-23(26,27)34-16-8-4-14(5-9-16)13-31-22(33)19-3-1-2-18(19)20-12-21(36-32-20)15-6-10-17(11-7-15)35-24(28,29)30/h4-11,18-19,21H,1-3,12-13H2,(H,31,33)/t18-,19-,21?/m1/s1.
What are the key properties of trans-(1R,2R)-2-[5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide?
trans-(1R,2R)-2-[5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide has a molecular weight of 516.44 g/mol, XLogP of 6.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 45486818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).