5-fluoro-3-(1-methylpiperidin-4-yl)oxy-1,2-benzoxazole

C13H15FN2O2 — CID 19038058

IUPAC5-fluoro-3-(1-methylpiperidin-4-yl)oxy-1,2-benzoxazole
SMILESCN1CCC(Oc2noc3ccc(F)cc23)CC1
InChIInChI=1S/C13H15FN2O2/c1-16-6-4-10(5-7-16)17-13-11-8-9(14)2-3-12(11)18-15-13/h2-3,8,10H,4-7H2,1H3
InChIKeyNQIXSHLUIKFZFK-UHFFFAOYSA-N
MW250.27 g/mol
LogP2.44
Rot. Bonds2

About 5-fluoro-3-(1-methylpiperidin-4-yl)oxy-1,2-benzoxazole

5-fluoro-3-(1-methylpiperidin-4-yl)oxy-1,2-benzoxazole (PubChem CID 19038058) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 5-fluoro-3-(1-methylpiperidin-4-yl)oxy-1,2-benzoxazole.

Molecular Properties

Compound Name5-fluoro-3-(1-methylpiperidin-4-yl)oxy-1,2-benzoxazole
PubChem CID19038058
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name5-fluoro-3-(1-methylpiperidin-4-yl)oxy-1,2-benzoxazole
SMILESCN1CCC(Oc2noc3ccc(F)cc23)CC1
InChIInChI=1S/C13H15FN2O2/c1-16-6-4-10(5-7-16)17-13-11-8-9(14)2-3-12(11)18-15-13/h2-3,8,10H,4-7H2,1H3
InChIKeyNQIXSHLUIKFZFK-UHFFFAOYSA-N
XLogP2.44
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-{[(4-Isobutoxy-1,2-benzisoxazol-3-yl)oxy]methyl}piperidin-1-yl)methyl]tetrahydro-2H-pyran-4-ol
CID 53357029
(Z)-2-(1,2-benzoxazol-3-yl)-3-[2-(3-piperidin-1-ylpropoxy)phenyl]prop-2-enenitrile;hydrochloride
CID 12793392
3-[(1-Butylpiperidin-4-yl)methoxy]-4-cyclobutyloxy-1,2-benzoxazole
CID 71450132
3-[(1-Butylpiperidin-4-yl)methoxy]-4-cyclopentyloxy-1,2-benzoxazole
CID 71451951
3-[(1-Butylpiperidin-4-yl)methoxy]-4-(cyclobutylmethoxy)-1,2-benzoxazole
CID 71462650
3-[(1-Butylpiperidin-4-yl)methoxy]-4-(2-methylpropoxy)-1,2-benzoxazole
CID 71462651
benzo[d]isoxazol-3-yl N,N-dimethylcarbamate
CID 2726312
7-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-propoxy}-3-methoxymethyl-chromen-4-one
CID 9804562
7-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-propoxy}-chromen-4-one
CID 9823559
1-(4-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-propoxy}-3-methyl-phenyl)-ethanone
CID 10319381
1-(3-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-propoxy}-phenyl)-ethanone
CID 10430858
1-(4-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-propoxy}-2-methoxy-phenyl)-ethanone
CID 10432600

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(1-methylpiperidin-4-yl)oxy-1,2-benzoxazole?
The IUPAC name of 5-fluoro-3-(1-methylpiperidin-4-yl)oxy-1,2-benzoxazole (CID 19038058) is 5-fluoro-3-(1-methylpiperidin-4-yl)oxy-1,2-benzoxazole.
What is the SMILES notation for 5-fluoro-3-(1-methylpiperidin-4-yl)oxy-1,2-benzoxazole?
The canonical SMILES for 5-fluoro-3-(1-methylpiperidin-4-yl)oxy-1,2-benzoxazole is CN1CCC(Oc2noc3ccc(F)cc23)CC1.
What is the InChIKey of 5-fluoro-3-(1-methylpiperidin-4-yl)oxy-1,2-benzoxazole?
The InChIKey is NQIXSHLUIKFZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-16-6-4-10(5-7-16)17-13-11-8-9(14)2-3-12(11)18-15-13/h2-3,8,10H,4-7H2,1H3.
What are the key properties of 5-fluoro-3-(1-methylpiperidin-4-yl)oxy-1,2-benzoxazole?
5-fluoro-3-(1-methylpiperidin-4-yl)oxy-1,2-benzoxazole has a molecular weight of 250.27 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(1-methylpiperidin-4-yl)oxy-1,2-benzoxazole is sourced from PubChem (CID 19038058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).