2-[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]acetyl chloride

C17H19ClN2O2 — CID 58504285

IUPAC2-[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]acetyl chloride
SMILESO=C(Cl)CC1CCN(Cc2cc(-c3ccccc3)no2)CC1
InChIInChI=1S/C17H19ClN2O2/c18-17(21)10-13-6-8-20(9-7-13)12-15-11-16(19-22-15)14-4-2-1-3-5-14/h1-5,11,13H,6-10,12H2
InChIKeyWIMOHVRMHSGMEK-UHFFFAOYSA-N
MW318.80 g/mol
LogP3.71
Rot. Bonds5

About 2-[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]acetyl chloride

2-[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]acetyl chloride (PubChem CID 58504285) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 2-[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]acetyl chloride.

Molecular Properties

Compound Name2-[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]acetyl chloride
PubChem CID58504285
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name2-[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]acetyl chloride
SMILESO=C(Cl)CC1CCN(Cc2cc(-c3ccccc3)no2)CC1
InChIInChI=1S/C17H19ClN2O2/c18-17(21)10-13-6-8-20(9-7-13)12-15-11-16(19-22-15)14-4-2-1-3-5-14/h1-5,11,13H,6-10,12H2
InChIKeyWIMOHVRMHSGMEK-UHFFFAOYSA-N
XLogP3.71
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dichlorophenyl)-3-[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]propan-1-one
CID 58504172
5-phenyl-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]furan-2-carboxamide
CID 66989615
N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]-2-pyridin-3-ylacetamide
CID 131913778
1-[4-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 30760408
1-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylic acid
CID 119906674
[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 56705443
2-methyl-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]-1,3-benzothiazole-5-carboxamide
CID 70876612
1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-2-carbaldehyde
CID 62656794
N-(3-ethoxypropyl)-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
CID 55663692
[1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134018458
2-amino-6-ethoxy-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-4-carboxamide
CID 58504202
4-amino-5-cyano-6-ethoxy-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide
CID 46836252

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]acetyl chloride?
The IUPAC name of 2-[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]acetyl chloride (CID 58504285) is 2-[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]acetyl chloride.
What is the SMILES notation for 2-[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]acetyl chloride?
The canonical SMILES for 2-[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]acetyl chloride is O=C(Cl)CC1CCN(Cc2cc(-c3ccccc3)no2)CC1.
What is the InChIKey of 2-[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]acetyl chloride?
The InChIKey is WIMOHVRMHSGMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c18-17(21)10-13-6-8-20(9-7-13)12-15-11-16(19-22-15)14-4-2-1-3-5-14/h1-5,11,13H,6-10,12H2.
What are the key properties of 2-[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]acetyl chloride?
2-[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]acetyl chloride has a molecular weight of 318.80 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]acetyl chloride is sourced from PubChem (CID 58504285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).