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

C14H14ClFN2O2 — CID 3158039

IUPAC[3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CC(c2c(F)cccc2Cl)=NO1)N1CCCC1
InChIInChI=1S/C14H14ClFN2O2/c15-9-4-3-5-10(16)13(9)11-8-12(20-17-11)14(19)18-6-1-2-7-18/h3-5,12H,1-2,6-8H2
InChIKeyCOVLUBVSJJIBKV-UHFFFAOYSA-N
MW296.73 g/mol
LogP2.59
Rot. Bonds2

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

[3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 3158039) has the molecular formula C14H14ClFN2O2 and a molecular weight of 296.73 g/mol. Its IUPAC name is [3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID3158039
Molecular FormulaC14H14ClFN2O2
Molecular Weight296.73 g/mol
Exact Mass296.07
IUPAC Name[3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CC(c2c(F)cccc2Cl)=NO1)N1CCCC1
InChIInChI=1S/C14H14ClFN2O2/c15-9-4-3-5-10(16)13(9)11-8-12(20-17-11)14(19)18-6-1-2-7-18/h3-5,12H,1-2,6-8H2
InChIKeyCOVLUBVSJJIBKV-UHFFFAOYSA-N
XLogP2.59
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.73
LogP ≤ 52.59
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]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone (CID 3158039) is [3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone is O=C(C1CC(c2c(F)cccc2Cl)=NO1)N1CCCC1.
What is the InChIKey of [3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is COVLUBVSJJIBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O2/c15-9-4-3-5-10(16)13(9)11-8-12(20-17-11)14(19)18-6-1-2-7-18/h3-5,12H,1-2,6-8H2.
What are the key properties of [3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone?
[3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 296.73 g/mol, XLogP of 2.59, 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]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 3158039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).