[5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-(3-propoxypiperidin-1-yl)methanone

C18H22ClN3O4 — CID 24791113

IUPAC[5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-(3-propoxypiperidin-1-yl)methanone
SMILESCCCOC1CCCN(C(=O)c2cc(COc3cncc(Cl)c3)on2)C1
InChIInChI=1S/C18H22ClN3O4/c1-2-6-24-14-4-3-5-22(11-14)18(23)17-8-16(26-21-17)12-25-15-7-13(19)9-20-10-15/h7-10,14H,2-6,11-12H2,1H3
InChIKeyKNMLICYMZXSYHF-UHFFFAOYSA-N
MW379.84 g/mol
LogP3.33
Rot. Bonds7

About [5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-(3-propoxypiperidin-1-yl)methanone

[5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-(3-propoxypiperidin-1-yl)methanone (PubChem CID 24791113) has the molecular formula C18H22ClN3O4 and a molecular weight of 379.84 g/mol. Its IUPAC name is [5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-(3-propoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-(3-propoxypiperidin-1-yl)methanone
PubChem CID24791113
Molecular FormulaC18H22ClN3O4
Molecular Weight379.84 g/mol
Exact Mass379.13
IUPAC Name[5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-(3-propoxypiperidin-1-yl)methanone
SMILESCCCOC1CCCN(C(=O)c2cc(COc3cncc(Cl)c3)on2)C1
InChIInChI=1S/C18H22ClN3O4/c1-2-6-24-14-4-3-5-22(11-14)18(23)17-8-16(26-21-17)12-25-15-7-13(19)9-20-10-15/h7-10,14H,2-6,11-12H2,1H3
InChIKeyKNMLICYMZXSYHF-UHFFFAOYSA-N
XLogP3.33
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.84
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-(3-propoxypiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-(3-propoxypiperidin-1-yl)methanone?
The IUPAC name of [5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-(3-propoxypiperidin-1-yl)methanone (CID 24791113) is [5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-(3-propoxypiperidin-1-yl)methanone.
What is the SMILES notation for [5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-(3-propoxypiperidin-1-yl)methanone?
The canonical SMILES for [5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-(3-propoxypiperidin-1-yl)methanone is CCCOC1CCCN(C(=O)c2cc(COc3cncc(Cl)c3)on2)C1.
What is the InChIKey of [5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-(3-propoxypiperidin-1-yl)methanone?
The InChIKey is KNMLICYMZXSYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O4/c1-2-6-24-14-4-3-5-22(11-14)18(23)17-8-16(26-21-17)12-25-15-7-13(19)9-20-10-15/h7-10,14H,2-6,11-12H2,1H3.
What are the key properties of [5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-(3-propoxypiperidin-1-yl)methanone?
[5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-(3-propoxypiperidin-1-yl)methanone has a molecular weight of 379.84 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-(3-propoxypiperidin-1-yl)methanone is sourced from PubChem (CID 24791113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).