6-fluoro-2-(piperidin-3-ylmethyl)-1,3-benzoxazole

C13H15FN2O — CID 55232173

IUPAC6-fluoro-2-(piperidin-3-ylmethyl)-1,3-benzoxazole
SMILESFc1ccc2nc(CC3CCCNC3)oc2c1
InChIInChI=1S/C13H15FN2O/c14-10-3-4-11-12(7-10)17-13(16-11)6-9-2-1-5-15-8-9/h3-4,7,9,15H,1-2,5-6,8H2
InChIKeyLFJPDNDQTPLAJO-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.51
Rot. Bonds2

About 6-fluoro-2-(piperidin-3-ylmethyl)-1,3-benzoxazole

6-fluoro-2-(piperidin-3-ylmethyl)-1,3-benzoxazole (PubChem CID 55232173) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 6-fluoro-2-(piperidin-3-ylmethyl)-1,3-benzoxazole.

Molecular Properties

Compound Name6-fluoro-2-(piperidin-3-ylmethyl)-1,3-benzoxazole
PubChem CID55232173
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name6-fluoro-2-(piperidin-3-ylmethyl)-1,3-benzoxazole
SMILESFc1ccc2nc(CC3CCCNC3)oc2c1
InChIInChI=1S/C13H15FN2O/c14-10-3-4-11-12(7-10)17-13(16-11)6-9-2-1-5-15-8-9/h3-4,7,9,15H,1-2,5-6,8H2
InChIKeyLFJPDNDQTPLAJO-UHFFFAOYSA-N
XLogP2.51
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-methylpropyl)-2-(piperidin-3-ylmethyl)-1,3-benzoxazole
CID 155136389
(3S)-3-[(6-fluoro-1-benzofuran-3-yl)methyl]piperidine
CID 176570011
6-fluoro-2-(piperidin-4-yloxymethyl)-1,3-benzoxazole
CID 63870572
2-ethyl-6-(piperidin-3-ylmethoxy)-1,3-benzoxazole
CID 117098302
1-ethyl-6-fluoro-2-(piperidin-3-ylmethyl)benzimidazole
CID 62689623
6-fluoro-2-(piperidin-3-ylmethyl)-1-propylbenzimidazole
CID 62689624
3-[(4-fluorophenyl)sulfanylmethyl]-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 66071556
2-methyl-N-(2-piperidin-3-ylethyl)-1,3-benzoxazol-6-amine
CID 115211282
7-fluoro-2-(piperidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054690
3-[(4-fluoro-2-methoxyphenyl)methyl]piperidine
CID 84789117
6-chloro-2-(2-pyrrolidin-3-ylethyl)-1,3-benzoxazole
CID 58200841
(3S)-3-[(5-methylfuran-2-yl)methyl]piperidine
CID 130804196

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(piperidin-3-ylmethyl)-1,3-benzoxazole?
The IUPAC name of 6-fluoro-2-(piperidin-3-ylmethyl)-1,3-benzoxazole (CID 55232173) is 6-fluoro-2-(piperidin-3-ylmethyl)-1,3-benzoxazole.
What is the SMILES notation for 6-fluoro-2-(piperidin-3-ylmethyl)-1,3-benzoxazole?
The canonical SMILES for 6-fluoro-2-(piperidin-3-ylmethyl)-1,3-benzoxazole is Fc1ccc2nc(CC3CCCNC3)oc2c1.
What is the InChIKey of 6-fluoro-2-(piperidin-3-ylmethyl)-1,3-benzoxazole?
The InChIKey is LFJPDNDQTPLAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c14-10-3-4-11-12(7-10)17-13(16-11)6-9-2-1-5-15-8-9/h3-4,7,9,15H,1-2,5-6,8H2.
What are the key properties of 6-fluoro-2-(piperidin-3-ylmethyl)-1,3-benzoxazole?
6-fluoro-2-(piperidin-3-ylmethyl)-1,3-benzoxazole has a molecular weight of 234.27 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(piperidin-3-ylmethyl)-1,3-benzoxazole is sourced from PubChem (CID 55232173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).