2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[6-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]benzamide

C26H32N4O4 — CID 51961894

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[6-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]benzamide
SMILESCc1noc(C)c1COc1ccccc1C(=O)NCc1ccc(N2CCCC[C@H]2CCO)nc1
InChIInChI=1S/C26H32N4O4/c1-18-23(19(2)34-29-18)17-33-24-9-4-3-8-22(24)26(32)28-16-20-10-11-25(27-15-20)30-13-6-5-7-21(30)12-14-31/h3-4,8-11,15,21,31H,5-7,12-14,16-17H2,1-2H3,(H,28,32)/t21-/m0/s1
InChIKeyYGXCAMCOBPCHQU-NRFANRHFSA-N
MW464.57 g/mol
LogP3.94
Rot. Bonds9

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[6-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]benzamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[6-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]benzamide (PubChem CID 51961894) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[6-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[6-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]benzamide
PubChem CID51961894
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[6-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]benzamide
SMILESCc1noc(C)c1COc1ccccc1C(=O)NCc1ccc(N2CCCC[C@H]2CCO)nc1
InChIInChI=1S/C26H32N4O4/c1-18-23(19(2)34-29-18)17-33-24-9-4-3-8-22(24)26(32)28-16-20-10-11-25(27-15-20)30-13-6-5-7-21(30)12-14-31/h3-4,8-11,15,21,31H,5-7,12-14,16-17H2,1-2H3,(H,28,32)/t21-/m0/s1
InChIKeyYGXCAMCOBPCHQU-NRFANRHFSA-N
XLogP3.94
TPSA100.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 30832323
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 30548406
N-[[6-[2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]-3,3-dimethylbutanamide
CID 51085213
N-[[6-[2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]but-2-ynamide
CID 146075582
N-[[6-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide
CID 97211768
3-(4-fluorophenyl)-N-[[6-[2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide
CID 47049399
1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 119355381
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-piperidin-1-ylmethanone
CID 112788083
N-(2-acetamidoethyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 43006676
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 111445543
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 55527623
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-prop-2-enylbenzamide
CID 30533521

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[6-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]benzamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[6-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]benzamide (CID 51961894) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[6-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]benzamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[6-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]benzamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[6-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]benzamide is Cc1noc(C)c1COc1ccccc1C(=O)NCc1ccc(N2CCCC[C@H]2CCO)nc1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[6-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]benzamide?
The InChIKey is YGXCAMCOBPCHQU-NRFANRHFSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-18-23(19(2)34-29-18)17-33-24-9-4-3-8-22(24)26(32)28-16-20-10-11-25(27-15-20)30-13-6-5-7-21(30)12-14-31/h3-4,8-11,15,21,31H,5-7,12-14,16-17H2,1-2H3,(H,28,32)/t21-/m0/s1.
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[6-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]benzamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[6-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]benzamide has a molecular weight of 464.57 g/mol, XLogP of 3.94, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[6-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]benzamide is sourced from PubChem (CID 51961894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).