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

C17H18FN3O2 — CID 5307250

IUPAC(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(C2CC2)on1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H18FN3O2/c18-13-3-5-14(6-4-13)20-7-9-21(10-8-20)17(22)15-11-16(23-19-15)12-1-2-12/h3-6,11-12H,1-2,7-10H2
InChIKeyAJTGNBOPXRSPMR-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.65
Rot. Bonds3

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

(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 5307250) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID5307250
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(C2CC2)on1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H18FN3O2/c18-13-3-5-14(6-4-13)20-7-9-21(10-8-20)17(22)15-11-16(23-19-15)12-1-2-12/h3-6,11-12H,1-2,7-10H2
InChIKeyAJTGNBOPXRSPMR-UHFFFAOYSA-N
XLogP2.65
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 5307250) is (5-cyclopropyl-1,2-oxazol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone is O=C(c1cc(C2CC2)on1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is AJTGNBOPXRSPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c18-13-3-5-14(6-4-13)20-7-9-21(10-8-20)17(22)15-11-16(23-19-15)12-1-2-12/h3-6,11-12H,1-2,7-10H2.
What are the key properties of (5-cyclopropyl-1,2-oxazol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 315.35 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,2-oxazol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 5307250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).