(2R)-2-hydroxy-1-[4-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone

C29H32F3N5O4 — CID 58428987

IUPAC(2R)-2-hydroxy-1-[4-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone
SMILESCC1CCCN(c2nc(C(F)(F)F)c(C(=O)Cc3ccc(N4CCN(C(=O)[C@H](O)c5ccccc5)CC4)nc3)o2)C1
InChIInChI=1S/C29H32F3N5O4/c1-19-6-5-11-37(18-19)28-34-26(29(30,31)32)25(41-28)22(38)16-20-9-10-23(33-17-20)35-12-14-36(15-13-35)27(40)24(39)21-7-3-2-4-8-21/h2-4,7-10,17,19,24,39H,5-6,11-16,18H2,1H3/t19?,24-/m1/s1
InChIKeyKXZFGSQDWCQCST-JKSFWZLDSA-N
MW571.60 g/mol
LogP4.13
Rot. Bonds7

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

(2R)-2-hydroxy-1-[4-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone (PubChem CID 58428987) has the molecular formula C29H32F3N5O4 and a molecular weight of 571.60 g/mol. Its IUPAC name is (2R)-2-hydroxy-1-[4-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name(2R)-2-hydroxy-1-[4-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone
PubChem CID58428987
Molecular FormulaC29H32F3N5O4
Molecular Weight571.60 g/mol
Exact Mass571.24
IUPAC Name(2R)-2-hydroxy-1-[4-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone
SMILESCC1CCCN(c2nc(C(F)(F)F)c(C(=O)Cc3ccc(N4CCN(C(=O)[C@H](O)c5ccccc5)CC4)nc3)o2)C1
InChIInChI=1S/C29H32F3N5O4/c1-19-6-5-11-37(18-19)28-34-26(29(30,31)32)25(41-28)22(38)16-20-9-10-23(33-17-20)35-12-14-36(15-13-35)27(40)24(39)21-7-3-2-4-8-21/h2-4,7-10,17,19,24,39H,5-6,11-16,18H2,1H3/t19?,24-/m1/s1
InChIKeyKXZFGSQDWCQCST-JKSFWZLDSA-N
XLogP4.13
TPSA103.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.60
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Launch Full Analysis

Related Compounds

3-[[1-[5-[[2-(3-Methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]pyridin-2-yl]piperidin-4-yl]methoxy]benzoic acid
CID 46208314
1-[(1-{[2-(4-Ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidin-4-yl)carbonyl]-4-pyridin-2-ylpiperazine
CID 3239292
[1-[[5-Methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 5309518
N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 44528443
Ethyl 1-[5-[[2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperidine-4-carboxylate
CID 72545307
Ethyl 2-[1-[5-[[2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperidin-4-yl]acetate
CID 72545308
Ethyl 4-[5-[[2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylate
CID 72545309
(2-Methyl-4-phenyl-1,3-oxazol-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 76327957
[2-[(2-Fluorophenyl)-hydroxymethyl]-5-methyl-1,3-oxazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 134806407
[5-(3-Methylphenyl)-1,3-oxazol-4-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 126470532
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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-1-[4-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone?
The IUPAC name of (2R)-2-hydroxy-1-[4-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone (CID 58428987) is (2R)-2-hydroxy-1-[4-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone.
What is the SMILES notation for (2R)-2-hydroxy-1-[4-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone?
The canonical SMILES for (2R)-2-hydroxy-1-[4-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone is CC1CCCN(c2nc(C(F)(F)F)c(C(=O)Cc3ccc(N4CCN(C(=O)[C@H](O)c5ccccc5)CC4)nc3)o2)C1.
What is the InChIKey of (2R)-2-hydroxy-1-[4-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone?
The InChIKey is KXZFGSQDWCQCST-JKSFWZLDSA-N. The full InChI is InChI=1S/C29H32F3N5O4/c1-19-6-5-11-37(18-19)28-34-26(29(30,31)32)25(41-28)22(38)16-20-9-10-23(33-17-20)35-12-14-36(15-13-35)27(40)24(39)21-7-3-2-4-8-21/h2-4,7-10,17,19,24,39H,5-6,11-16,18H2,1H3/t19?,24-/m1/s1.
What are the key properties of (2R)-2-hydroxy-1-[4-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone?
(2R)-2-hydroxy-1-[4-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone has a molecular weight of 571.60 g/mol, XLogP of 4.13, 7 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-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperazin-1-yl]-2-phenylethanone is sourced from PubChem (CID 58428987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).