5-chloro-6-fluoro-2-(2-piperidin-4-ylethyl)-1,3-benzoxazole

C14H16ClFN2O — CID 82720864

IUPAC5-chloro-6-fluoro-2-(2-piperidin-4-ylethyl)-1,3-benzoxazole
SMILESFc1cc2oc(CCC3CCNCC3)nc2cc1Cl
InChIInChI=1S/C14H16ClFN2O/c15-10-7-12-13(8-11(10)16)19-14(18-12)2-1-9-3-5-17-6-4-9/h7-9,17H,1-6H2
InChIKeyAUKWCRSVJTXGHB-UHFFFAOYSA-N
MW282.75 g/mol
LogP3.55
Rot. Bonds3

About 5-chloro-6-fluoro-2-(2-piperidin-4-ylethyl)-1,3-benzoxazole

5-chloro-6-fluoro-2-(2-piperidin-4-ylethyl)-1,3-benzoxazole (PubChem CID 82720864) has the molecular formula C14H16ClFN2O and a molecular weight of 282.75 g/mol. Its IUPAC name is 5-chloro-6-fluoro-2-(2-piperidin-4-ylethyl)-1,3-benzoxazole.

Molecular Properties

Compound Name5-chloro-6-fluoro-2-(2-piperidin-4-ylethyl)-1,3-benzoxazole
PubChem CID82720864
Molecular FormulaC14H16ClFN2O
Molecular Weight282.75 g/mol
Exact Mass282.09
IUPAC Name5-chloro-6-fluoro-2-(2-piperidin-4-ylethyl)-1,3-benzoxazole
SMILESFc1cc2oc(CCC3CCNCC3)nc2cc1Cl
InChIInChI=1S/C14H16ClFN2O/c15-10-7-12-13(8-11(10)16)19-14(18-12)2-1-9-3-5-17-6-4-9/h7-9,17H,1-6H2
InChIKeyAUKWCRSVJTXGHB-UHFFFAOYSA-N
XLogP3.55
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoro-2-(2-piperidin-4-ylethyl)-1,3-benzoxazole?
The IUPAC name of 5-chloro-6-fluoro-2-(2-piperidin-4-ylethyl)-1,3-benzoxazole (CID 82720864) is 5-chloro-6-fluoro-2-(2-piperidin-4-ylethyl)-1,3-benzoxazole.
What is the SMILES notation for 5-chloro-6-fluoro-2-(2-piperidin-4-ylethyl)-1,3-benzoxazole?
The canonical SMILES for 5-chloro-6-fluoro-2-(2-piperidin-4-ylethyl)-1,3-benzoxazole is Fc1cc2oc(CCC3CCNCC3)nc2cc1Cl.
What is the InChIKey of 5-chloro-6-fluoro-2-(2-piperidin-4-ylethyl)-1,3-benzoxazole?
The InChIKey is AUKWCRSVJTXGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O/c15-10-7-12-13(8-11(10)16)19-14(18-12)2-1-9-3-5-17-6-4-9/h7-9,17H,1-6H2.
What are the key properties of 5-chloro-6-fluoro-2-(2-piperidin-4-ylethyl)-1,3-benzoxazole?
5-chloro-6-fluoro-2-(2-piperidin-4-ylethyl)-1,3-benzoxazole has a molecular weight of 282.75 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-2-(2-piperidin-4-ylethyl)-1,3-benzoxazole is sourced from PubChem (CID 82720864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).