[4-(methoxymethyl)piperidin-1-yl]-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone

C20H23N5O4 — CID 24791536

IUPAC[4-(methoxymethyl)piperidin-1-yl]-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone
SMILESCOCC1CCN(C(=O)c2cc(COc3ccc(-n4cncn4)cc3)on2)CC1
InChIInChI=1S/C20H23N5O4/c1-27-11-15-6-8-24(9-7-15)20(26)19-10-18(29-23-19)12-28-17-4-2-16(3-5-17)25-14-21-13-22-25/h2-5,10,13-15H,6-9,11-12H2,1H3
InChIKeyUDBXFXVWEQRHEP-UHFFFAOYSA-N
MW397.44 g/mol
LogP2.33
Rot. Bonds7

About [4-(methoxymethyl)piperidin-1-yl]-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone

[4-(methoxymethyl)piperidin-1-yl]-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone (PubChem CID 24791536) has the molecular formula C20H23N5O4 and a molecular weight of 397.44 g/mol. Its IUPAC name is [4-(methoxymethyl)piperidin-1-yl]-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name[4-(methoxymethyl)piperidin-1-yl]-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone
PubChem CID24791536
Molecular FormulaC20H23N5O4
Molecular Weight397.44 g/mol
Exact Mass397.18
IUPAC Name[4-(methoxymethyl)piperidin-1-yl]-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone
SMILESCOCC1CCN(C(=O)c2cc(COc3ccc(-n4cncn4)cc3)on2)CC1
InChIInChI=1S/C20H23N5O4/c1-27-11-15-6-8-24(9-7-15)20(26)19-10-18(29-23-19)12-28-17-4-2-16(3-5-17)25-14-21-13-22-25/h2-5,10,13-15H,6-9,11-12H2,1H3
InChIKeyUDBXFXVWEQRHEP-UHFFFAOYSA-N
XLogP2.33
TPSA95.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)piperidin-1-yl]-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone?
The IUPAC name of [4-(methoxymethyl)piperidin-1-yl]-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone (CID 24791536) is [4-(methoxymethyl)piperidin-1-yl]-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for [4-(methoxymethyl)piperidin-1-yl]-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone?
The canonical SMILES for [4-(methoxymethyl)piperidin-1-yl]-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone is COCC1CCN(C(=O)c2cc(COc3ccc(-n4cncn4)cc3)on2)CC1.
What is the InChIKey of [4-(methoxymethyl)piperidin-1-yl]-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone?
The InChIKey is UDBXFXVWEQRHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O4/c1-27-11-15-6-8-24(9-7-15)20(26)19-10-18(29-23-19)12-28-17-4-2-16(3-5-17)25-14-21-13-22-25/h2-5,10,13-15H,6-9,11-12H2,1H3.
What are the key properties of [4-(methoxymethyl)piperidin-1-yl]-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone?
[4-(methoxymethyl)piperidin-1-yl]-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone has a molecular weight of 397.44 g/mol, XLogP of 2.33, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)piperidin-1-yl]-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 24791536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).