(3-fluorophenyl) 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate

C19H17FN2O3 — CID 16590590

IUPAC(3-fluorophenyl) 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate
SMILESO=C(Oc1cccc(F)c1)C1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C19H17FN2O3/c20-14-4-3-5-15(12-14)24-18(23)13-8-10-22(11-9-13)19-21-16-6-1-2-7-17(16)25-19/h1-7,12-13H,8-11H2
InChIKeyKOBZESCVQSLYJH-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.79
Rot. Bonds3

About (3-fluorophenyl) 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate

(3-fluorophenyl) 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate (PubChem CID 16590590) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is (3-fluorophenyl) 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Name(3-fluorophenyl) 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate
PubChem CID16590590
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Name(3-fluorophenyl) 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate
SMILESO=C(Oc1cccc(F)c1)C1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C19H17FN2O3/c20-14-4-3-5-15(12-14)24-18(23)13-8-10-22(11-9-13)19-21-16-6-1-2-7-17(16)25-19/h1-7,12-13H,8-11H2
InChIKeyKOBZESCVQSLYJH-UHFFFAOYSA-N
XLogP3.79
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl) 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate?
The IUPAC name of (3-fluorophenyl) 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate (CID 16590590) is (3-fluorophenyl) 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate.
What is the SMILES notation for (3-fluorophenyl) 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate?
The canonical SMILES for (3-fluorophenyl) 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate is O=C(Oc1cccc(F)c1)C1CCN(c2nc3ccccc3o2)CC1.
What is the InChIKey of (3-fluorophenyl) 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate?
The InChIKey is KOBZESCVQSLYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c20-14-4-3-5-15(12-14)24-18(23)13-8-10-22(11-9-13)19-21-16-6-1-2-7-17(16)25-19/h1-7,12-13H,8-11H2.
What are the key properties of (3-fluorophenyl) 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate?
(3-fluorophenyl) 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate has a molecular weight of 340.35 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl) 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate is sourced from PubChem (CID 16590590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).