[4-[5-hydroxy-1-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrrolidin-3-yl]piperidin-1-yl]-(1,3-oxazol-2-yl)methanone

C26H26F3N3O3 — CID 123904764

IUPAC[4-[5-hydroxy-1-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrrolidin-3-yl]piperidin-1-yl]-(1,3-oxazol-2-yl)methanone
SMILESO=C(c1ncco1)N1CCC(C2CC(O)N(c3cccc(-c4ccccc4C(F)(F)F)c3)C2)CC1
InChIInChI=1S/C26H26F3N3O3/c27-26(28,29)22-7-2-1-6-21(22)18-4-3-5-20(14-18)32-16-19(15-23(32)33)17-8-11-31(12-9-17)25(34)24-30-10-13-35-24/h1-7,10,13-14,17,19,23,33H,8-9,11-12,15-16H2
InChIKeyJAKZHFQFAPKZDZ-UHFFFAOYSA-N
MW485.51 g/mol
LogP5.06
Rot. Bonds4

About [4-[5-hydroxy-1-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrrolidin-3-yl]piperidin-1-yl]-(1,3-oxazol-2-yl)methanone

[4-[5-hydroxy-1-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrrolidin-3-yl]piperidin-1-yl]-(1,3-oxazol-2-yl)methanone (PubChem CID 123904764) has the molecular formula C26H26F3N3O3 and a molecular weight of 485.51 g/mol. Its IUPAC name is [4-[5-hydroxy-1-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrrolidin-3-yl]piperidin-1-yl]-(1,3-oxazol-2-yl)methanone.

Molecular Properties

Compound Name[4-[5-hydroxy-1-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrrolidin-3-yl]piperidin-1-yl]-(1,3-oxazol-2-yl)methanone
PubChem CID123904764
Molecular FormulaC26H26F3N3O3
Molecular Weight485.51 g/mol
Exact Mass485.19
IUPAC Name[4-[5-hydroxy-1-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrrolidin-3-yl]piperidin-1-yl]-(1,3-oxazol-2-yl)methanone
SMILESO=C(c1ncco1)N1CCC(C2CC(O)N(c3cccc(-c4ccccc4C(F)(F)F)c3)C2)CC1
InChIInChI=1S/C26H26F3N3O3/c27-26(28,29)22-7-2-1-6-21(22)18-4-3-5-20(14-18)32-16-19(15-23(32)33)17-8-11-31(12-9-17)25(34)24-30-10-13-35-24/h1-7,10,13-14,17,19,23,33H,8-9,11-12,15-16H2
InChIKeyJAKZHFQFAPKZDZ-UHFFFAOYSA-N
XLogP5.06
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.51
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(2R)-1-(1,3-oxazol-2-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)-1,3-dihydroisoindol-1-ol
CID 139360357
N-[2-[(3R,5R)-5-(methoxymethyl)pyrrolidin-3-yl]-3-(trifluoromethyl)phenyl]-1,3-oxazole-2-carboxamide
CID 168839040
N-[2-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]-3-(trifluoromethyl)phenyl]-1,3-oxazole-2-carboxamide
CID 168839042
1,3-Oxazole-2-carboxamide;1-[4-(trifluoromethyl)phenyl]piperidine
CID 161071740
1-[3-(2-Methylphenyl)phenyl]-4-[4-(1,3-oxazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122653937
1-[3-(2-Methylphenyl)phenyl]-4-[1-(1,3-oxazole-2-carbonyl)piperidin-4-yl]pyrrolidin-2-one
CID 123376021
N-[3-(1-naphthalen-1-yl-5-oxopyrrolidin-3-yl)propyl]-N-propyl-1,3-oxazole-2-carboxamide
CID 123744245

Frequently Asked Questions

What is the IUPAC name of [4-[5-hydroxy-1-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrrolidin-3-yl]piperidin-1-yl]-(1,3-oxazol-2-yl)methanone?
The IUPAC name of [4-[5-hydroxy-1-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrrolidin-3-yl]piperidin-1-yl]-(1,3-oxazol-2-yl)methanone (CID 123904764) is [4-[5-hydroxy-1-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrrolidin-3-yl]piperidin-1-yl]-(1,3-oxazol-2-yl)methanone.
What is the SMILES notation for [4-[5-hydroxy-1-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrrolidin-3-yl]piperidin-1-yl]-(1,3-oxazol-2-yl)methanone?
The canonical SMILES for [4-[5-hydroxy-1-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrrolidin-3-yl]piperidin-1-yl]-(1,3-oxazol-2-yl)methanone is O=C(c1ncco1)N1CCC(C2CC(O)N(c3cccc(-c4ccccc4C(F)(F)F)c3)C2)CC1.
What is the InChIKey of [4-[5-hydroxy-1-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrrolidin-3-yl]piperidin-1-yl]-(1,3-oxazol-2-yl)methanone?
The InChIKey is JAKZHFQFAPKZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N3O3/c27-26(28,29)22-7-2-1-6-21(22)18-4-3-5-20(14-18)32-16-19(15-23(32)33)17-8-11-31(12-9-17)25(34)24-30-10-13-35-24/h1-7,10,13-14,17,19,23,33H,8-9,11-12,15-16H2.
What are the key properties of [4-[5-hydroxy-1-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrrolidin-3-yl]piperidin-1-yl]-(1,3-oxazol-2-yl)methanone?
[4-[5-hydroxy-1-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrrolidin-3-yl]piperidin-1-yl]-(1,3-oxazol-2-yl)methanone has a molecular weight of 485.51 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-hydroxy-1-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrrolidin-3-yl]piperidin-1-yl]-(1,3-oxazol-2-yl)methanone is sourced from PubChem (CID 123904764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).