5-chloro-2-(4-ethylpiperidin-2-yl)-6-fluoro-1,3-benzoxazole

C14H16ClFN2O — CID 114430038

IUPAC5-chloro-2-(4-ethylpiperidin-2-yl)-6-fluoro-1,3-benzoxazole
SMILESCCC1CCNC(c2nc3cc(Cl)c(F)cc3o2)C1
InChIInChI=1S/C14H16ClFN2O/c1-2-8-3-4-17-12(5-8)14-18-11-6-9(15)10(16)7-13(11)19-14/h6-8,12,17H,2-5H2,1H3
InChIKeyWQFSXAFVRPCUKX-UHFFFAOYSA-N
MW282.75 g/mol
LogP4.07
Rot. Bonds2

About 5-chloro-2-(4-ethylpiperidin-2-yl)-6-fluoro-1,3-benzoxazole

5-chloro-2-(4-ethylpiperidin-2-yl)-6-fluoro-1,3-benzoxazole (PubChem CID 114430038) has the molecular formula C14H16ClFN2O and a molecular weight of 282.75 g/mol. Its IUPAC name is 5-chloro-2-(4-ethylpiperidin-2-yl)-6-fluoro-1,3-benzoxazole.

Molecular Properties

Compound Name5-chloro-2-(4-ethylpiperidin-2-yl)-6-fluoro-1,3-benzoxazole
PubChem CID114430038
Molecular FormulaC14H16ClFN2O
Molecular Weight282.75 g/mol
Exact Mass282.09
IUPAC Name5-chloro-2-(4-ethylpiperidin-2-yl)-6-fluoro-1,3-benzoxazole
SMILESCCC1CCNC(c2nc3cc(Cl)c(F)cc3o2)C1
InChIInChI=1S/C14H16ClFN2O/c1-2-8-3-4-17-12(5-8)14-18-11-6-9(15)10(16)7-13(11)19-14/h6-8,12,17H,2-5H2,1H3
InChIKeyWQFSXAFVRPCUKX-UHFFFAOYSA-N
XLogP4.07
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-ethylpiperidin-2-yl)-6-fluoro-1,3-benzoxazole?
The IUPAC name of 5-chloro-2-(4-ethylpiperidin-2-yl)-6-fluoro-1,3-benzoxazole (CID 114430038) is 5-chloro-2-(4-ethylpiperidin-2-yl)-6-fluoro-1,3-benzoxazole.
What is the SMILES notation for 5-chloro-2-(4-ethylpiperidin-2-yl)-6-fluoro-1,3-benzoxazole?
The canonical SMILES for 5-chloro-2-(4-ethylpiperidin-2-yl)-6-fluoro-1,3-benzoxazole is CCC1CCNC(c2nc3cc(Cl)c(F)cc3o2)C1.
What is the InChIKey of 5-chloro-2-(4-ethylpiperidin-2-yl)-6-fluoro-1,3-benzoxazole?
The InChIKey is WQFSXAFVRPCUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O/c1-2-8-3-4-17-12(5-8)14-18-11-6-9(15)10(16)7-13(11)19-14/h6-8,12,17H,2-5H2,1H3.
What are the key properties of 5-chloro-2-(4-ethylpiperidin-2-yl)-6-fluoro-1,3-benzoxazole?
5-chloro-2-(4-ethylpiperidin-2-yl)-6-fluoro-1,3-benzoxazole has a molecular weight of 282.75 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-ethylpiperidin-2-yl)-6-fluoro-1,3-benzoxazole is sourced from PubChem (CID 114430038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).