[(3R)-3-hydroxypiperidin-1-yl]-[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]methanone

C20H20N2O4 — CID 42526479

IUPAC[(3R)-3-hydroxypiperidin-1-yl]-[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]methanone
SMILESCOc1cccc(-c2nc3ccc(C(=O)N4CCC[C@@H](O)C4)cc3o2)c1
InChIInChI=1S/C20H20N2O4/c1-25-16-6-2-4-13(10-16)19-21-17-8-7-14(11-18(17)26-19)20(24)22-9-3-5-15(23)12-22/h2,4,6-8,10-11,15,23H,3,5,9,12H2,1H3/t15-/m1/s1
InChIKeyFDTMLUNHWICKFQ-OAHLLOKOSA-N
MW352.39 g/mol
LogP3.10
Rot. Bonds3

About [(3R)-3-hydroxypiperidin-1-yl]-[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]methanone

[(3R)-3-hydroxypiperidin-1-yl]-[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]methanone (PubChem CID 42526479) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is [(3R)-3-hydroxypiperidin-1-yl]-[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-hydroxypiperidin-1-yl]-[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]methanone
PubChem CID42526479
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name[(3R)-3-hydroxypiperidin-1-yl]-[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]methanone
SMILESCOc1cccc(-c2nc3ccc(C(=O)N4CCC[C@@H](O)C4)cc3o2)c1
InChIInChI=1S/C20H20N2O4/c1-25-16-6-2-4-13(10-16)19-21-17-8-7-14(11-18(17)26-19)20(24)22-9-3-5-15(23)12-22/h2,4,6-8,10-11,15,23H,3,5,9,12H2,1H3/t15-/m1/s1
InChIKeyFDTMLUNHWICKFQ-OAHLLOKOSA-N
XLogP3.10
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3R)-3-hydroxypiperidin-1-yl]-[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]methanone with MolForge

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Related Compounds

2-(3-methoxyphenyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,3-benzoxazole-6-carboxamide
CID 26324000
2-(3-methoxyphenyl)-N-[[(2R)-oxan-2-yl]methyl]-1,3-benzoxazole-6-carboxamide
CID 42512111
7-[(3R)-3-hydroxypiperidine-1-carbonyl]-3-(3-methoxyphenyl)-9H-fluorene-1-carboxamide
CID 159726035
(3-methoxyphenyl)-[(3R)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 1456109
2-[1-(2-phenyl-1,3-benzoxazole-6-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 46378855
(3-hydroxypiperidin-1-yl)-(3-phenylphenyl)methanone
CID 110868609
1-(azepan-1-yl)-2-[1-(2-phenyl-1,3-benzoxazole-6-carbonyl)piperidin-4-yl]propan-1-one
CID 46378853
(3-hydroxyazetidin-1-yl)-(3-methoxyphenyl)methanone
CID 63107497
[(3S)-3-hydroxypiperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 93033672
(3-bromopiperidin-1-yl)-(3-methoxyphenyl)methanone
CID 80660380
N-[(4-methoxyphenyl)methyl]-2-[1-(2-phenyl-1,3-benzoxazole-6-carbonyl)piperidin-4-yl]acetamide
CID 46378839
1-(3-hydroxypiperidin-1-yl)-3-(3-methoxyphenyl)but-2-en-1-one
CID 111911916

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-hydroxypiperidin-1-yl]-[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]methanone?
The IUPAC name of [(3R)-3-hydroxypiperidin-1-yl]-[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]methanone (CID 42526479) is [(3R)-3-hydroxypiperidin-1-yl]-[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]methanone.
What is the SMILES notation for [(3R)-3-hydroxypiperidin-1-yl]-[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]methanone?
The canonical SMILES for [(3R)-3-hydroxypiperidin-1-yl]-[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]methanone is COc1cccc(-c2nc3ccc(C(=O)N4CCC[C@@H](O)C4)cc3o2)c1.
What is the InChIKey of [(3R)-3-hydroxypiperidin-1-yl]-[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]methanone?
The InChIKey is FDTMLUNHWICKFQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-25-16-6-2-4-13(10-16)19-21-17-8-7-14(11-18(17)26-19)20(24)22-9-3-5-15(23)12-22/h2,4,6-8,10-11,15,23H,3,5,9,12H2,1H3/t15-/m1/s1.
What are the key properties of [(3R)-3-hydroxypiperidin-1-yl]-[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]methanone?
[(3R)-3-hydroxypiperidin-1-yl]-[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]methanone has a molecular weight of 352.39 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-hydroxypiperidin-1-yl]-[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]methanone is sourced from PubChem (CID 42526479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).