[(2R)-5-(1,3-benzoxazol-4-yloxy)-2-ethylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone

C23H23N5O3 — CID 143981173

IUPAC[(2R)-5-(1,3-benzoxazol-4-yloxy)-2-ethylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESCC[C@@H]1CCC(Oc2cccc3ocnc23)CN1C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C23H23N5O3/c1-2-16-10-11-17(31-21-9-5-8-20-22(21)24-15-30-20)14-27(16)23(29)18-6-3-4-7-19(18)28-25-12-13-26-28/h3-9,12-13,15-17H,2,10-11,14H2,1H3/t16-,17?/m1/s1
InChIKeyZUBNXPMCVLRIBV-TZHYSIJRSA-N
MW417.47 g/mol
LogP3.87
Rot. Bonds5

About [(2R)-5-(1,3-benzoxazol-4-yloxy)-2-ethylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone

[(2R)-5-(1,3-benzoxazol-4-yloxy)-2-ethylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone (PubChem CID 143981173) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is [(2R)-5-(1,3-benzoxazol-4-yloxy)-2-ethylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[(2R)-5-(1,3-benzoxazol-4-yloxy)-2-ethylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
PubChem CID143981173
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name[(2R)-5-(1,3-benzoxazol-4-yloxy)-2-ethylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESCC[C@@H]1CCC(Oc2cccc3ocnc23)CN1C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C23H23N5O3/c1-2-16-10-11-17(31-21-9-5-8-20-22(21)24-15-30-20)14-27(16)23(29)18-6-3-4-7-19(18)28-25-12-13-26-28/h3-9,12-13,15-17H,2,10-11,14H2,1H3/t16-,17?/m1/s1
InChIKeyZUBNXPMCVLRIBV-TZHYSIJRSA-N
XLogP3.87
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(2R)-5-(1,3-benzoxazol-4-yloxy)-2-ethylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone with MolForge

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Related Compounds

[(2R,5R)-2-methyl-5-([1,3]oxazolo[5,4-b]pyridin-7-yloxy)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 121439354
2-[(3R,6S)-6-(hydroxymethyl)-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxy-6-methoxybenzoic acid
CID 139268945
[(2R,5R)-5-(2-bromo-3-methoxyphenoxy)-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 121267920
[5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-ethylpiperidin-1-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone
CID 123549080
[(2R,5R)-5-[[(1S)-1-hydroxy-1-methyl-2,3-dihydroinden-4-yl]oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 86281703
(3-quinolin-8-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone
CID 143981180
[(2R)-5-[[3-(hydroxymethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 144739519
ethyl 4-ethoxy-2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate
CID 122630451
[(2R,5R)-2-methyl-5-thieno[3,2-b]pyridin-7-yloxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 46212674
[(2R,5R)-5-[[3-[(1S)-1-hydroxypropyl]-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 87055212
[(2R,5R)-5-[[3-[(1R)-1-hydroxypropyl]-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 87055211
[(2R,5R)-2-methyl-5-(6-methylquinolin-4-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 46212053

Frequently Asked Questions

What is the IUPAC name of [(2R)-5-(1,3-benzoxazol-4-yloxy)-2-ethylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [(2R)-5-(1,3-benzoxazol-4-yloxy)-2-ethylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone (CID 143981173) is [(2R)-5-(1,3-benzoxazol-4-yloxy)-2-ethylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [(2R)-5-(1,3-benzoxazol-4-yloxy)-2-ethylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [(2R)-5-(1,3-benzoxazol-4-yloxy)-2-ethylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone is CC[C@@H]1CCC(Oc2cccc3ocnc23)CN1C(=O)c1ccccc1-n1nccn1.
What is the InChIKey of [(2R)-5-(1,3-benzoxazol-4-yloxy)-2-ethylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The InChIKey is ZUBNXPMCVLRIBV-TZHYSIJRSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-2-16-10-11-17(31-21-9-5-8-20-22(21)24-15-30-20)14-27(16)23(29)18-6-3-4-7-19(18)28-25-12-13-26-28/h3-9,12-13,15-17H,2,10-11,14H2,1H3/t16-,17?/m1/s1.
What are the key properties of [(2R)-5-(1,3-benzoxazol-4-yloxy)-2-ethylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
[(2R)-5-(1,3-benzoxazol-4-yloxy)-2-ethylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone has a molecular weight of 417.47 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-5-(1,3-benzoxazol-4-yloxy)-2-ethylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 143981173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).