6-fluoro-3-[1-(4-indazol-1-ylbutyl)piperidin-4-yl]-1,2-benzoxazole

C23H25FN4O — CID 141322818

IUPAC6-fluoro-3-[1-(4-indazol-1-ylbutyl)piperidin-4-yl]-1,2-benzoxazole
SMILESFc1ccc2c(C3CCN(CCCCn4ncc5ccccc54)CC3)noc2c1
InChIInChI=1S/C23H25FN4O/c24-19-7-8-20-22(15-19)29-26-23(20)17-9-13-27(14-10-17)11-3-4-12-28-21-6-2-1-5-18(21)16-25-28/h1-2,5-8,15-17H,3-4,9-14H2
InChIKeyZSELGCYJSRWWIP-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.98
Rot. Bonds6

About 6-fluoro-3-[1-(4-indazol-1-ylbutyl)piperidin-4-yl]-1,2-benzoxazole

6-fluoro-3-[1-(4-indazol-1-ylbutyl)piperidin-4-yl]-1,2-benzoxazole (PubChem CID 141322818) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is 6-fluoro-3-[1-(4-indazol-1-ylbutyl)piperidin-4-yl]-1,2-benzoxazole.

Molecular Properties

Compound Name6-fluoro-3-[1-(4-indazol-1-ylbutyl)piperidin-4-yl]-1,2-benzoxazole
PubChem CID141322818
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC Name6-fluoro-3-[1-(4-indazol-1-ylbutyl)piperidin-4-yl]-1,2-benzoxazole
SMILESFc1ccc2c(C3CCN(CCCCn4ncc5ccccc54)CC3)noc2c1
InChIInChI=1S/C23H25FN4O/c24-19-7-8-20-22(15-19)29-26-23(20)17-9-13-27(14-10-17)11-3-4-12-28-21-6-2-1-5-18(21)16-25-28/h1-2,5-8,15-17H,3-4,9-14H2
InChIKeyZSELGCYJSRWWIP-UHFFFAOYSA-N
XLogP4.98
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-3-[1-(4-pyrrol-1-ylbutyl)piperidin-4-yl]-1,2-benzoxazole
CID 141322820
6-fluoro-3-(1-heptylpiperidin-4-yl)-1,2-benzoxazole
CID 174359166
3-[1-[3-(7-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl)propyl]piperidin-4-yl]-6-fluoro-1,2-benzoxazole
CID 19886385
1-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butyl]-4-naphthalen-1-ylpiperidine-2,6-dione
CID 71500717
6-fluoro-3-[1-(3-pyrimidin-2-yloxypropyl)piperidin-4-yl]-1,2-benzoxazole
CID 15384967
6-fluoro-3-[1-[3-(7-fluoronaphthalen-1-yl)oxypropyl]piperidin-4-yl]-1,2-benzoxazole;hydrochloride
CID 70245042
6-fluoro-3-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-1,2-benzoxazole
CID 163352050
6-fluoro-3-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]-1,2-benzoxazole
CID 163352118
4-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butyl]-4-azatricyclo[5.2.2.02,6]undecane-3,5-dione
CID 14576394
4-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butyl]-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol
CID 91033130
bis(but-2-enedioic acid);6-fluoro-3-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]-1,2-benzoxazole
CID 67070997
N-ethyl-3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-1-amine;dihydrochloride
CID 156540523

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[1-(4-indazol-1-ylbutyl)piperidin-4-yl]-1,2-benzoxazole?
The IUPAC name of 6-fluoro-3-[1-(4-indazol-1-ylbutyl)piperidin-4-yl]-1,2-benzoxazole (CID 141322818) is 6-fluoro-3-[1-(4-indazol-1-ylbutyl)piperidin-4-yl]-1,2-benzoxazole.
What is the SMILES notation for 6-fluoro-3-[1-(4-indazol-1-ylbutyl)piperidin-4-yl]-1,2-benzoxazole?
The canonical SMILES for 6-fluoro-3-[1-(4-indazol-1-ylbutyl)piperidin-4-yl]-1,2-benzoxazole is Fc1ccc2c(C3CCN(CCCCn4ncc5ccccc54)CC3)noc2c1.
What is the InChIKey of 6-fluoro-3-[1-(4-indazol-1-ylbutyl)piperidin-4-yl]-1,2-benzoxazole?
The InChIKey is ZSELGCYJSRWWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O/c24-19-7-8-20-22(15-19)29-26-23(20)17-9-13-27(14-10-17)11-3-4-12-28-21-6-2-1-5-18(21)16-25-28/h1-2,5-8,15-17H,3-4,9-14H2.
What are the key properties of 6-fluoro-3-[1-(4-indazol-1-ylbutyl)piperidin-4-yl]-1,2-benzoxazole?
6-fluoro-3-[1-(4-indazol-1-ylbutyl)piperidin-4-yl]-1,2-benzoxazole has a molecular weight of 392.48 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[1-(4-indazol-1-ylbutyl)piperidin-4-yl]-1,2-benzoxazole is sourced from PubChem (CID 141322818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).