[2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone

C19H23FN4O2 — CID 42198866

IUPAC[2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1coc(CN2CCN(c3ccccc3F)CC2)n1)N1CCCC1
InChIInChI=1S/C19H23FN4O2/c20-15-5-1-2-6-17(15)23-11-9-22(10-12-23)13-18-21-16(14-26-18)19(25)24-7-3-4-8-24/h1-2,5-6,14H,3-4,7-13H2
InChIKeyYCPIMVOIBSXOPD-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.37
Rot. Bonds4

About [2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone

[2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 42198866) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is [2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID42198866
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name[2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1coc(CN2CCN(c3ccccc3F)CC2)n1)N1CCCC1
InChIInChI=1S/C19H23FN4O2/c20-15-5-1-2-6-17(15)23-11-9-22(10-12-23)13-18-21-16(14-26-18)19(25)24-7-3-4-8-24/h1-2,5-6,14H,3-4,7-13H2
InChIKeyYCPIMVOIBSXOPD-UHFFFAOYSA-N
XLogP2.37
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone (CID 42198866) is [2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone is O=C(c1coc(CN2CCN(c3ccccc3F)CC2)n1)N1CCCC1.
What is the InChIKey of [2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is YCPIMVOIBSXOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c20-15-5-1-2-6-17(15)23-11-9-22(10-12-23)13-18-21-16(14-26-18)19(25)24-7-3-4-8-24/h1-2,5-6,14H,3-4,7-13H2.
What are the key properties of [2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone?
[2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 358.42 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 42198866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).