(2R)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone

C34H34F3N5O4 — CID 58428981

IUPAC(2R)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccc(N2CCN(C(=O)[C@H](O)c3ccccc3)CC2)nc1)c1oc(N2CCC(c3ccccc3)CC2)nc1C(F)(F)F
InChIInChI=1S/C34H34F3N5O4/c35-34(36,37)31-30(46-33(39-31)42-15-13-25(14-16-42)24-7-3-1-4-8-24)27(43)21-23-11-12-28(38-22-23)40-17-19-41(20-18-40)32(45)29(44)26-9-5-2-6-10-26/h1-12,22,25,29,44H,13-21H2/t29-/m1/s1
InChIKeyRRDKBFIIHJXGPQ-GDLZYMKVSA-N
MW633.67 g/mol
LogP5.28
Rot. Bonds8

About (2R)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone

(2R)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone (PubChem CID 58428981) has the molecular formula C34H34F3N5O4 and a molecular weight of 633.67 g/mol. Its IUPAC name is (2R)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name(2R)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone
PubChem CID58428981
Molecular FormulaC34H34F3N5O4
Molecular Weight633.67 g/mol
Exact Mass633.26
IUPAC Name(2R)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccc(N2CCN(C(=O)[C@H](O)c3ccccc3)CC2)nc1)c1oc(N2CCC(c3ccccc3)CC2)nc1C(F)(F)F
InChIInChI=1S/C34H34F3N5O4/c35-34(36,37)31-30(46-33(39-31)42-15-13-25(14-16-42)24-7-3-1-4-8-24)27(43)21-23-11-12-28(38-22-23)40-17-19-41(20-18-40)32(45)29(44)26-9-5-2-6-10-26/h1-12,22,25,29,44H,13-21H2/t29-/m1/s1
InChIKeyRRDKBFIIHJXGPQ-GDLZYMKVSA-N
XLogP5.28
TPSA103.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.67
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (2R)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone with MolForge

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Launch Full Analysis

Related Compounds

[2-[(2-Fluorophenyl)-hydroxymethyl]-5-methyl-1,3-oxazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 134806407
N-[6-[4-[(2R)-2-cyclohexyl-2-hydroxyacetyl]piperazin-1-yl]pyridin-3-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46207541
N-[6-[4-[(2R)-2-hydroxy-2-phenylacetyl]piperazin-1-yl]pyridin-3-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46207542
N-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]pyridin-3-yl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46207661
N-[6-[4-[(2R)-2-hydroxy-2-phenylacetyl]piperazin-1-yl]pyridin-3-yl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46207784
N-[6-[4-[2-(3,5-difluorophenyl)-2-hydroxyacetyl]-1,4-diazepan-1-yl]pyridin-3-yl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46207904
N-[6-[4-[2-(2,6-difluorophenyl)acetyl]piperazin-1-yl]pyridin-3-yl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46207907
2-[[1-[5-[[2-(3-Methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]pyridin-2-yl]piperidin-4-yl]oxymethyl]benzoic acid
CID 46208040
2-[5-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]pyridin-2-yl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 46208041
2-[3-(3-chlorophenyl)pyrrolidin-1-yl]-N-[6-[4-[(2R)-2-hydroxy-2-phenylacetyl]piperazin-1-yl]pyridin-3-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46208176
3-[[1-[5-[[2-(3-Methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]pyridin-2-yl]piperidin-4-yl]oxymethyl]benzoic acid
CID 46208312
3-[[1-[5-[[2-(4-Phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]pyridin-2-yl]piperidin-4-yl]oxymethyl]benzoic acid
CID 46208313

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone?
The IUPAC name of (2R)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone (CID 58428981) is (2R)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone.
What is the SMILES notation for (2R)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone?
The canonical SMILES for (2R)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone is O=C(Cc1ccc(N2CCN(C(=O)[C@H](O)c3ccccc3)CC2)nc1)c1oc(N2CCC(c3ccccc3)CC2)nc1C(F)(F)F.
What is the InChIKey of (2R)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone?
The InChIKey is RRDKBFIIHJXGPQ-GDLZYMKVSA-N. The full InChI is InChI=1S/C34H34F3N5O4/c35-34(36,37)31-30(46-33(39-31)42-15-13-25(14-16-42)24-7-3-1-4-8-24)27(43)21-23-11-12-28(38-22-23)40-17-19-41(20-18-40)32(45)29(44)26-9-5-2-6-10-26/h1-12,22,25,29,44H,13-21H2/t29-/m1/s1.
What are the key properties of (2R)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone?
(2R)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone has a molecular weight of 633.67 g/mol, XLogP of 5.28, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone is sourced from PubChem (CID 58428981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).