[5-[(2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone

C23H25N3O5 — CID 24793324

IUPAC[5-[(2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
SMILESCOc1ccccc1OCc1cc(C(=O)N2CCCC(OCc3cccnc3)C2)no1
InChIInChI=1S/C23H25N3O5/c1-28-21-8-2-3-9-22(21)30-16-19-12-20(25-31-19)23(27)26-11-5-7-18(14-26)29-15-17-6-4-10-24-13-17/h2-4,6,8-10,12-13,18H,5,7,11,14-16H2,1H3
InChIKeyYPBWYTYACNMAHG-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.48
Rot. Bonds8

About [5-[(2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone

[5-[(2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone (PubChem CID 24793324) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is [5-[(2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-[(2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
PubChem CID24793324
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC Name[5-[(2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
SMILESCOc1ccccc1OCc1cc(C(=O)N2CCCC(OCc3cccnc3)C2)no1
InChIInChI=1S/C23H25N3O5/c1-28-21-8-2-3-9-22(21)30-16-19-12-20(25-31-19)23(27)26-11-5-7-18(14-26)29-15-17-6-4-10-24-13-17/h2-4,6,8-10,12-13,18H,5,7,11,14-16H2,1H3
InChIKeyYPBWYTYACNMAHG-UHFFFAOYSA-N
XLogP3.48
TPSA86.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-[(2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone?
The IUPAC name of [5-[(2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone (CID 24793324) is [5-[(2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for [5-[(2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone?
The canonical SMILES for [5-[(2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone is COc1ccccc1OCc1cc(C(=O)N2CCCC(OCc3cccnc3)C2)no1.
What is the InChIKey of [5-[(2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone?
The InChIKey is YPBWYTYACNMAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5/c1-28-21-8-2-3-9-22(21)30-16-19-12-20(25-31-19)23(27)26-11-5-7-18(14-26)29-15-17-6-4-10-24-13-17/h2-4,6,8-10,12-13,18H,5,7,11,14-16H2,1H3.
What are the key properties of [5-[(2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone?
[5-[(2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone has a molecular weight of 423.47 g/mol, XLogP of 3.48, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 24793324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).