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

C23H23F3N2O3 — CID 45486800

IUPACtrans-(1R,2R)-2-(5-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(c2ccccc2)C1
InChIInChI=1S/C23H23F3N2O3/c24-23(25,26)30-17-11-9-15(10-12-17)14-27-22(29)19-8-4-7-18(19)20-13-21(31-28-20)16-5-2-1-3-6-16/h1-3,5-6,9-12,18-19,21H,4,7-8,13-14H2,(H,27,29)/t18-,19-,21?/m1/s1
InChIKeyMYZOHOYTMJPNBY-AQFHOAJTSA-N
MW432.44 g/mol
LogP5.14
Rot. Bonds6

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

trans-(1R,2R)-2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide (PubChem CID 45486800) 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-1,2-oxazol-3-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide
PubChem CID45486800
Molecular FormulaC23H23F3N2O3
Molecular Weight432.44 g/mol
Exact Mass432.17
IUPAC Nametrans-(1R,2R)-2-(5-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(c2ccccc2)C1
InChIInChI=1S/C23H23F3N2O3/c24-23(25,26)30-17-11-9-15(10-12-17)14-27-22(29)19-8-4-7-18(19)20-13-21(31-28-20)16-5-2-1-3-6-16/h1-3,5-6,9-12,18-19,21H,4,7-8,13-14H2,(H,27,29)/t18-,19-,21?/m1/s1
InChIKeyMYZOHOYTMJPNBY-AQFHOAJTSA-N
XLogP5.14
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.44
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3237052
N-(4-fluorobenzyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3237488
N-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3238182
N-benzyl-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3245926
N-(4-methoxybenzyl)-3-(4-methoxyphenyl)-4,5-dihydroisoxazole-5-carboxamide
CID 3236601
trans-N-benzyl-2-((S)-1-hydroxy-3-(4-(trifluoromethoxy)phenyl)propyl)cyclopentanecarboxamide
CID 11640384
3-(3-fluorophenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681860
N-[(4-methoxyphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681872
N-[[4-(trifluoromethoxy)phenyl]methyl]-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16682022
N-[(4-methoxyphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16745449
N-((trans-2-(1-hydroxy-3-phenylpropyl)cyclopentyl)methyl)-4-(trifluoromethoxy)benzamide
CID 44408776
trans-N-benzyl-2-(1-hydroxy-3-(3-(trifluoromethoxy)phenyl)propyl)cyclopentanecarboxamide
CID 44408984

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(5-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-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide (CID 45486800) is trans-(1R,2R)-2-(5-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-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-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(c2ccccc2)C1.
What is the InChIKey of trans-(1R,2R)-2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide?
The InChIKey is MYZOHOYTMJPNBY-AQFHOAJTSA-N. The full InChI is InChI=1S/C23H23F3N2O3/c24-23(25,26)30-17-11-9-15(10-12-17)14-27-22(29)19-8-4-7-18(19)20-13-21(31-28-20)16-5-2-1-3-6-16/h1-3,5-6,9-12,18-19,21H,4,7-8,13-14H2,(H,27,29)/t18-,19-,21?/m1/s1.
What are the key properties of trans-(1R,2R)-2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide?
trans-(1R,2R)-2-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide has a molecular weight of 432.44 g/mol, XLogP of 5.14, 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-1,2-oxazol-3-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 45486800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).