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

C20H20N2O4 — CID 24790878

IUPAC(3-hydroxypiperidin-1-yl)-[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]methanone
SMILESCOc1cccc(-c2nc3ccc(C(=O)N4CCCC(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
InChIKeyFDTMLUNHWICKFQ-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.10
Rot. Bonds3

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

(3-hydroxypiperidin-1-yl)-[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]methanone (PubChem CID 24790878) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is (3-hydroxypiperidin-1-yl)-[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]methanone.

Molecular Properties

Compound Name(3-hydroxypiperidin-1-yl)-[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]methanone
PubChem CID24790878
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name(3-hydroxypiperidin-1-yl)-[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]methanone
SMILESCOc1cccc(-c2nc3ccc(C(=O)N4CCCC(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
InChIKeyFDTMLUNHWICKFQ-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxypiperidin-1-yl)-[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]methanone?
The IUPAC name of (3-hydroxypiperidin-1-yl)-[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]methanone (CID 24790878) is (3-hydroxypiperidin-1-yl)-[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]methanone.
What is the SMILES notation for (3-hydroxypiperidin-1-yl)-[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]methanone?
The canonical SMILES for (3-hydroxypiperidin-1-yl)-[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]methanone is COc1cccc(-c2nc3ccc(C(=O)N4CCCC(O)C4)cc3o2)c1.
What is the InChIKey of (3-hydroxypiperidin-1-yl)-[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]methanone?
The InChIKey is FDTMLUNHWICKFQ-UHFFFAOYSA-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.
What are the key properties of (3-hydroxypiperidin-1-yl)-[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]methanone?
(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 (3-hydroxypiperidin-1-yl)-[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]methanone is sourced from PubChem (CID 24790878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).