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

C22H24FN5O2S — CID 42098782

IUPAC[2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1coc(CN2CCN(c3ccccc3F)CC2)n1)N1CCC[C@@H]1c1nccs1
InChIInChI=1S/C22H24FN5O2S/c23-16-4-1-2-5-18(16)27-11-9-26(10-12-27)14-20-25-17(15-30-20)22(29)28-8-3-6-19(28)21-24-7-13-31-21/h1-2,4-5,7,13,15,19H,3,6,8-12,14H2/t19-/m1/s1
InChIKeyPIWSCXOWOLRHRG-LJQANCHMSA-N
MW441.53 g/mol
LogP3.57
Rot. Bonds5

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

[2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 42098782) has the molecular formula C22H24FN5O2S and a molecular weight of 441.53 g/mol. Its IUPAC name is [2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID42098782
Molecular FormulaC22H24FN5O2S
Molecular Weight441.53 g/mol
Exact Mass441.16
IUPAC Name[2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1coc(CN2CCN(c3ccccc3F)CC2)n1)N1CCC[C@@H]1c1nccs1
InChIInChI=1S/C22H24FN5O2S/c23-16-4-1-2-5-18(16)27-11-9-26(10-12-27)14-20-25-17(15-30-20)22(29)28-8-3-6-19(28)21-24-7-13-31-21/h1-2,4-5,7,13,15,19H,3,6,8-12,14H2/t19-/m1/s1
InChIKeyPIWSCXOWOLRHRG-LJQANCHMSA-N
XLogP3.57
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone with MolForge

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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]-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone (CID 42098782) is [2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone is O=C(c1coc(CN2CCN(c3ccccc3F)CC2)n1)N1CCC[C@@H]1c1nccs1.
What is the InChIKey of [2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is PIWSCXOWOLRHRG-LJQANCHMSA-N. The full InChI is InChI=1S/C22H24FN5O2S/c23-16-4-1-2-5-18(16)27-11-9-26(10-12-27)14-20-25-17(15-30-20)22(29)28-8-3-6-19(28)21-24-7-13-31-21/h1-2,4-5,7,13,15,19H,3,6,8-12,14H2/t19-/m1/s1.
What are the key properties of [2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone?
[2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 441.53 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 7 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]-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 42098782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).