5-fluoro-2-(2-piperidin-4-yloxyethyl)-1,3-benzoxazole

C14H17FN2O2 — CID 64792495

IUPAC5-fluoro-2-(2-piperidin-4-yloxyethyl)-1,3-benzoxazole
SMILESFc1ccc2oc(CCOC3CCNCC3)nc2c1
InChIInChI=1S/C14H17FN2O2/c15-10-1-2-13-12(9-10)17-14(19-13)5-8-18-11-3-6-16-7-4-11/h1-2,9,11,16H,3-8H2
InChIKeyRWKZMLYTPFWYAI-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.28
Rot. Bonds4

About 5-fluoro-2-(2-piperidin-4-yloxyethyl)-1,3-benzoxazole

5-fluoro-2-(2-piperidin-4-yloxyethyl)-1,3-benzoxazole (PubChem CID 64792495) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 5-fluoro-2-(2-piperidin-4-yloxyethyl)-1,3-benzoxazole.

Molecular Properties

Compound Name5-fluoro-2-(2-piperidin-4-yloxyethyl)-1,3-benzoxazole
PubChem CID64792495
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name5-fluoro-2-(2-piperidin-4-yloxyethyl)-1,3-benzoxazole
SMILESFc1ccc2oc(CCOC3CCNCC3)nc2c1
InChIInChI=1S/C14H17FN2O2/c15-10-1-2-13-12(9-10)17-14(19-13)5-8-18-11-3-6-16-7-4-11/h1-2,9,11,16H,3-8H2
InChIKeyRWKZMLYTPFWYAI-UHFFFAOYSA-N
XLogP2.28
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-piperidin-4-yloxyethyl)-1,3-benzoxazole?
The IUPAC name of 5-fluoro-2-(2-piperidin-4-yloxyethyl)-1,3-benzoxazole (CID 64792495) is 5-fluoro-2-(2-piperidin-4-yloxyethyl)-1,3-benzoxazole.
What is the SMILES notation for 5-fluoro-2-(2-piperidin-4-yloxyethyl)-1,3-benzoxazole?
The canonical SMILES for 5-fluoro-2-(2-piperidin-4-yloxyethyl)-1,3-benzoxazole is Fc1ccc2oc(CCOC3CCNCC3)nc2c1.
What is the InChIKey of 5-fluoro-2-(2-piperidin-4-yloxyethyl)-1,3-benzoxazole?
The InChIKey is RWKZMLYTPFWYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c15-10-1-2-13-12(9-10)17-14(19-13)5-8-18-11-3-6-16-7-4-11/h1-2,9,11,16H,3-8H2.
What are the key properties of 5-fluoro-2-(2-piperidin-4-yloxyethyl)-1,3-benzoxazole?
5-fluoro-2-(2-piperidin-4-yloxyethyl)-1,3-benzoxazole has a molecular weight of 264.30 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-piperidin-4-yloxyethyl)-1,3-benzoxazole is sourced from PubChem (CID 64792495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).