[4-[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone

C22H24FN3O4 — CID 90503603

IUPAC[4-[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCN(C(=O)C2(c3cc(-c4ccccc4F)on3)CC2)CC1
InChIInChI=1S/C22H24FN3O4/c23-16-5-2-1-4-15(16)18-14-19(24-30-18)22(7-8-22)21(28)26-11-9-25(10-12-26)20(27)17-6-3-13-29-17/h1-2,4-5,14,17H,3,6-13H2
InChIKeyQOAHCDNIZXERGE-UHFFFAOYSA-N
MW413.45 g/mol
LogP2.36
Rot. Bonds4

About [4-[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone

[4-[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 90503603) has the molecular formula C22H24FN3O4 and a molecular weight of 413.45 g/mol. Its IUPAC name is [4-[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID90503603
Molecular FormulaC22H24FN3O4
Molecular Weight413.45 g/mol
Exact Mass413.18
IUPAC Name[4-[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCN(C(=O)C2(c3cc(-c4ccccc4F)on3)CC2)CC1
InChIInChI=1S/C22H24FN3O4/c23-16-5-2-1-4-15(16)18-14-19(24-30-18)22(7-8-22)21(28)26-11-9-25(10-12-26)20(27)17-6-3-13-29-17/h1-2,4-5,14,17H,3,6-13H2
InChIKeyQOAHCDNIZXERGE-UHFFFAOYSA-N
XLogP2.36
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.45
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone (CID 90503603) is [4-[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone is O=C(C1CCCO1)N1CCN(C(=O)C2(c3cc(-c4ccccc4F)on3)CC2)CC1.
What is the InChIKey of [4-[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is QOAHCDNIZXERGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O4/c23-16-5-2-1-4-15(16)18-14-19(24-30-18)22(7-8-22)21(28)26-11-9-25(10-12-26)20(27)17-6-3-13-29-17/h1-2,4-5,14,17H,3,6-13H2.
What are the key properties of [4-[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone?
[4-[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 413.45 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 90503603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).