[2-(methoxymethyl)piperidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone

C21H23N3O4 — CID 24817878

IUPAC[2-(methoxymethyl)piperidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone
SMILESCOCC1CCCCN1C(=O)c1cc(COc2ccc3ncccc3c2)on1
InChIInChI=1S/C21H23N3O4/c1-26-13-16-6-2-3-10-24(16)21(25)20-12-18(28-23-20)14-27-17-7-8-19-15(11-17)5-4-9-22-19/h4-5,7-9,11-12,16H,2-3,6,10,13-14H2,1H3
InChIKeyFMPNDJVBSMJRSW-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.44
Rot. Bonds6

About [2-(methoxymethyl)piperidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone

[2-(methoxymethyl)piperidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone (PubChem CID 24817878) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is [2-(methoxymethyl)piperidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name[2-(methoxymethyl)piperidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone
PubChem CID24817878
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name[2-(methoxymethyl)piperidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone
SMILESCOCC1CCCCN1C(=O)c1cc(COc2ccc3ncccc3c2)on1
InChIInChI=1S/C21H23N3O4/c1-26-13-16-6-2-3-10-24(16)21(25)20-12-18(28-23-20)14-27-17-7-8-19-15(11-17)5-4-9-22-19/h4-5,7-9,11-12,16H,2-3,6,10,13-14H2,1H3
InChIKeyFMPNDJVBSMJRSW-UHFFFAOYSA-N
XLogP3.44
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(methoxymethyl)piperidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone?
The IUPAC name of [2-(methoxymethyl)piperidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone (CID 24817878) is [2-(methoxymethyl)piperidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for [2-(methoxymethyl)piperidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone?
The canonical SMILES for [2-(methoxymethyl)piperidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone is COCC1CCCCN1C(=O)c1cc(COc2ccc3ncccc3c2)on1.
What is the InChIKey of [2-(methoxymethyl)piperidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone?
The InChIKey is FMPNDJVBSMJRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-26-13-16-6-2-3-10-24(16)21(25)20-12-18(28-23-20)14-27-17-7-8-19-15(11-17)5-4-9-22-19/h4-5,7-9,11-12,16H,2-3,6,10,13-14H2,1H3.
What are the key properties of [2-(methoxymethyl)piperidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone?
[2-(methoxymethyl)piperidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone has a molecular weight of 381.43 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methoxymethyl)piperidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 24817878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).