[3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone

C15H16ClFN2O2 — CID 3158043

IUPAC[3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CC(c2c(F)cccc2Cl)=NO1)N1CCCCC1
InChIInChI=1S/C15H16ClFN2O2/c16-10-5-4-6-11(17)14(10)12-9-13(21-18-12)15(20)19-7-2-1-3-8-19/h4-6,13H,1-3,7-9H2
InChIKeyVKMJPXCFBURLRO-UHFFFAOYSA-N
MW310.76 g/mol
LogP2.98
Rot. Bonds2

About [3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone

[3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone (PubChem CID 3158043) has the molecular formula C15H16ClFN2O2 and a molecular weight of 310.76 g/mol. Its IUPAC name is [3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone
PubChem CID3158043
Molecular FormulaC15H16ClFN2O2
Molecular Weight310.76 g/mol
Exact Mass310.09
IUPAC Name[3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CC(c2c(F)cccc2Cl)=NO1)N1CCCCC1
InChIInChI=1S/C15H16ClFN2O2/c16-10-5-4-6-11(17)14(10)12-9-13(21-18-12)15(20)19-7-2-1-3-8-19/h4-6,13H,1-3,7-9H2
InChIKeyVKMJPXCFBURLRO-UHFFFAOYSA-N
XLogP2.98
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.76
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone (CID 3158043) is [3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone is O=C(C1CC(c2c(F)cccc2Cl)=NO1)N1CCCCC1.
What is the InChIKey of [3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone?
The InChIKey is VKMJPXCFBURLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O2/c16-10-5-4-6-11(17)14(10)12-9-13(21-18-12)15(20)19-7-2-1-3-8-19/h4-6,13H,1-3,7-9H2.
What are the key properties of [3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone?
[3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone has a molecular weight of 310.76 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 3158043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).