[4-(3-methoxypropyl)piperidin-1-yl]-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone

C20H27N3O4 — CID 24793180

IUPAC[4-(3-methoxypropyl)piperidin-1-yl]-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone
SMILESCOCCCC1CCN(C(=O)c2cc(COc3ccc(C)nc3)on2)CC1
InChIInChI=1S/C20H27N3O4/c1-15-5-6-17(13-21-15)26-14-18-12-19(22-27-18)20(24)23-9-7-16(8-10-23)4-3-11-25-2/h5-6,12-13,16H,3-4,7-11,14H2,1-2H3
InChIKeyYXIYXSBQJPYTFQ-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.24
Rot. Bonds8

About [4-(3-methoxypropyl)piperidin-1-yl]-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone

[4-(3-methoxypropyl)piperidin-1-yl]-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone (PubChem CID 24793180) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is [4-(3-methoxypropyl)piperidin-1-yl]-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name[4-(3-methoxypropyl)piperidin-1-yl]-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone
PubChem CID24793180
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name[4-(3-methoxypropyl)piperidin-1-yl]-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone
SMILESCOCCCC1CCN(C(=O)c2cc(COc3ccc(C)nc3)on2)CC1
InChIInChI=1S/C20H27N3O4/c1-15-5-6-17(13-21-15)26-14-18-12-19(22-27-18)20(24)23-9-7-16(8-10-23)4-3-11-25-2/h5-6,12-13,16H,3-4,7-11,14H2,1-2H3
InChIKeyYXIYXSBQJPYTFQ-UHFFFAOYSA-N
XLogP3.24
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxypropyl)piperidin-1-yl]-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone?
The IUPAC name of [4-(3-methoxypropyl)piperidin-1-yl]-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone (CID 24793180) is [4-(3-methoxypropyl)piperidin-1-yl]-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for [4-(3-methoxypropyl)piperidin-1-yl]-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone?
The canonical SMILES for [4-(3-methoxypropyl)piperidin-1-yl]-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone is COCCCC1CCN(C(=O)c2cc(COc3ccc(C)nc3)on2)CC1.
What is the InChIKey of [4-(3-methoxypropyl)piperidin-1-yl]-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone?
The InChIKey is YXIYXSBQJPYTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-15-5-6-17(13-21-15)26-14-18-12-19(22-27-18)20(24)23-9-7-16(8-10-23)4-3-11-25-2/h5-6,12-13,16H,3-4,7-11,14H2,1-2H3.
What are the key properties of [4-(3-methoxypropyl)piperidin-1-yl]-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone?
[4-(3-methoxypropyl)piperidin-1-yl]-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone has a molecular weight of 373.45 g/mol, XLogP of 3.24, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxypropyl)piperidin-1-yl]-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 24793180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).