[2-[(2-chloro-4-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3R)-3-methoxypiperidin-1-yl]methanone

C17H18ClFN2O4 — CID 26391635

IUPAC[2-[(2-chloro-4-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3R)-3-methoxypiperidin-1-yl]methanone
SMILESCO[C@@H]1CCCN(C(=O)c2coc(COc3ccc(F)cc3Cl)n2)C1
InChIInChI=1S/C17H18ClFN2O4/c1-23-12-3-2-6-21(8-12)17(22)14-9-25-16(20-14)10-24-15-5-4-11(19)7-13(15)18/h4-5,7,9,12H,2-3,6,8,10H2,1H3/t12-/m1/s1
InChIKeyYSGQXHONYOWGMZ-GFCCVEGCSA-N
MW368.79 g/mol
LogP3.30
Rot. Bonds5

About [2-[(2-chloro-4-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3R)-3-methoxypiperidin-1-yl]methanone

[2-[(2-chloro-4-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3R)-3-methoxypiperidin-1-yl]methanone (PubChem CID 26391635) has the molecular formula C17H18ClFN2O4 and a molecular weight of 368.79 g/mol. Its IUPAC name is [2-[(2-chloro-4-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3R)-3-methoxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-[(2-chloro-4-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3R)-3-methoxypiperidin-1-yl]methanone
PubChem CID26391635
Molecular FormulaC17H18ClFN2O4
Molecular Weight368.79 g/mol
Exact Mass368.09
IUPAC Name[2-[(2-chloro-4-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3R)-3-methoxypiperidin-1-yl]methanone
SMILESCO[C@@H]1CCCN(C(=O)c2coc(COc3ccc(F)cc3Cl)n2)C1
InChIInChI=1S/C17H18ClFN2O4/c1-23-12-3-2-6-21(8-12)17(22)14-9-25-16(20-14)10-24-15-5-4-11(19)7-13(15)18/h4-5,7,9,12H,2-3,6,8,10H2,1H3/t12-/m1/s1
InChIKeyYSGQXHONYOWGMZ-GFCCVEGCSA-N
XLogP3.30
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.79
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-[(2-chloro-4-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3R)-3-methoxypiperidin-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

Related Compounds

[2-[(2-chloro-4-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3R)-3-ethyl-3-hydroxypiperidin-1-yl]methanone
CID 95209558
(3-methoxypiperidin-1-yl)-[2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazol-4-yl]methanone
CID 45200891
[5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 26315353
ethyl 1-[2-[(2-fluorophenoxy)methyl]-1,3-oxazole-4-carbonyl]piperidine-3-carboxylate
CID 45247251
[2-[(2-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 42300285
[2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3S)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone
CID 95214399
2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-(oxan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 45253177
2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]-1,3-oxazole-4-carboxamide
CID 42147990
1-[2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide
CID 56707588
2-[(2-chloro-4-fluorophenoxy)methyl]-N-(oxan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 45245412
[2-[(4-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 25446692
[5-[(4-chloro-2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-(3-methoxypiperidin-1-yl)methanone
CID 24817225

Frequently Asked Questions

What is the IUPAC name of [2-[(2-chloro-4-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3R)-3-methoxypiperidin-1-yl]methanone?
The IUPAC name of [2-[(2-chloro-4-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3R)-3-methoxypiperidin-1-yl]methanone (CID 26391635) is [2-[(2-chloro-4-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3R)-3-methoxypiperidin-1-yl]methanone.
What is the SMILES notation for [2-[(2-chloro-4-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3R)-3-methoxypiperidin-1-yl]methanone?
The canonical SMILES for [2-[(2-chloro-4-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3R)-3-methoxypiperidin-1-yl]methanone is CO[C@@H]1CCCN(C(=O)c2coc(COc3ccc(F)cc3Cl)n2)C1.
What is the InChIKey of [2-[(2-chloro-4-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3R)-3-methoxypiperidin-1-yl]methanone?
The InChIKey is YSGQXHONYOWGMZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18ClFN2O4/c1-23-12-3-2-6-21(8-12)17(22)14-9-25-16(20-14)10-24-15-5-4-11(19)7-13(15)18/h4-5,7,9,12H,2-3,6,8,10H2,1H3/t12-/m1/s1.
What are the key properties of [2-[(2-chloro-4-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3R)-3-methoxypiperidin-1-yl]methanone?
[2-[(2-chloro-4-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3R)-3-methoxypiperidin-1-yl]methanone has a molecular weight of 368.79 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chloro-4-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3R)-3-methoxypiperidin-1-yl]methanone is sourced from PubChem (CID 26391635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).