[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-phenylpiperazin-1-yl)methanone

C20H20FN3O2 — CID 17095801

IUPAC[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(C1CC(c2ccccc2F)=NO1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H20FN3O2/c21-17-9-5-4-8-16(17)18-14-19(26-22-18)20(25)24-12-10-23(11-13-24)15-6-2-1-3-7-15/h1-9,19H,10-14H2
InChIKeyRDJAIFCWKHRNNO-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.67
Rot. Bonds3

About [3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-phenylpiperazin-1-yl)methanone

[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 17095801) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is [3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID17095801
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(C1CC(c2ccccc2F)=NO1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H20FN3O2/c21-17-9-5-4-8-16(17)18-14-19(26-22-18)20(25)24-12-10-23(11-13-24)15-6-2-1-3-7-15/h1-9,19H,10-14H2
InChIKeyRDJAIFCWKHRNNO-UHFFFAOYSA-N
XLogP2.67
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-phenylpiperazin-1-yl)methanone (CID 17095801) is [3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-phenylpiperazin-1-yl)methanone is O=C(C1CC(c2ccccc2F)=NO1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of [3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is RDJAIFCWKHRNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c21-17-9-5-4-8-16(17)18-14-19(26-22-18)20(25)24-12-10-23(11-13-24)15-6-2-1-3-7-15/h1-9,19H,10-14H2.
What are the key properties of [3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-phenylpiperazin-1-yl)methanone?
[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 353.40 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 17095801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).