[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-piperidin-1-ylmethanone

C16H17ClN2O2 — CID 700029

IUPAC[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-piperidin-1-ylmethanone
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)N1CCCCC1
InChIInChI=1S/C16H17ClN2O2/c1-11-14(16(20)19-9-5-2-6-10-19)15(18-21-11)12-7-3-4-8-13(12)17/h3-4,7-8H,2,5-6,9-10H2,1H3
InChIKeyGVANEULOCHZRLD-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.93
Rot. Bonds2

About [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-piperidin-1-ylmethanone

[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-piperidin-1-ylmethanone (PubChem CID 700029) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-piperidin-1-ylmethanone
PubChem CID700029
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-piperidin-1-ylmethanone
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)N1CCCCC1
InChIInChI=1S/C16H17ClN2O2/c1-11-14(16(20)19-9-5-2-6-10-19)15(18-21-11)12-7-3-4-8-13(12)17/h3-4,7-8H,2,5-6,9-10H2,1H3
InChIKeyGVANEULOCHZRLD-UHFFFAOYSA-N
XLogP3.93
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-piperidin-1-ylmethanone (CID 700029) is [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-piperidin-1-ylmethanone is Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCCCC1.
What is the InChIKey of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-piperidin-1-ylmethanone?
The InChIKey is GVANEULOCHZRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-11-14(16(20)19-9-5-2-6-10-19)15(18-21-11)12-7-3-4-8-13(12)17/h3-4,7-8H,2,5-6,9-10H2,1H3.
What are the key properties of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-piperidin-1-ylmethanone?
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-piperidin-1-ylmethanone has a molecular weight of 304.78 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 700029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).