[2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone

C20H19ClN4O2 — CID 110099296

IUPAC[2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCCCC1c1ncc(Cc2cccc(Cl)c2)o1
InChIInChI=1S/C20H19ClN4O2/c21-15-5-3-4-14(10-15)11-16-12-24-19(27-16)18-6-1-2-9-25(18)20(26)17-13-22-7-8-23-17/h3-5,7-8,10,12-13,18H,1-2,6,9,11H2
InChIKeyGPGDLCNXLIFLKD-UHFFFAOYSA-N
MW382.85 g/mol
LogP4.08
Rot. Bonds4

About [2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone

[2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 110099296) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is [2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID110099296
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name[2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCCCC1c1ncc(Cc2cccc(Cl)c2)o1
InChIInChI=1S/C20H19ClN4O2/c21-15-5-3-4-14(10-15)11-16-12-24-19(27-16)18-6-1-2-9-25(18)20(26)17-13-22-7-8-23-17/h3-5,7-8,10,12-13,18H,1-2,6,9,11H2
InChIKeyGPGDLCNXLIFLKD-UHFFFAOYSA-N
XLogP4.08
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 125010540
[(2R)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 125011634
(2-amino-6-methylpyrimidin-4-yl)-[2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 110121018
[(3R)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 124994629
6-[(2R)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 124946116
4-[2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-6-methyl-1H-pyrimidin-2-one
CID 110121166
1-[(2S)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-methoxyethanone
CID 124949491
[(2R)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 124999923
1-[(2S)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 124974733
4-[(2S)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidine-1-carbonyl]-6-methyl-1H-pyrimidin-2-one
CID 124950843
[(2S)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 124970649
1-[(2R)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2-methoxyethoxy)ethanone
CID 124979967

Frequently Asked Questions

What is the IUPAC name of [2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone (CID 110099296) is [2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCCCC1c1ncc(Cc2cccc(Cl)c2)o1.
What is the InChIKey of [2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is GPGDLCNXLIFLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c21-15-5-3-4-14(10-15)11-16-12-24-19(27-16)18-6-1-2-9-25(18)20(26)17-13-22-7-8-23-17/h3-5,7-8,10,12-13,18H,1-2,6,9,11H2.
What are the key properties of [2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
[2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 382.85 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 110099296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).