6-fluoro-3-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-1,2-benzoxazole

C17H19FN4O — CID 163352050

IUPAC6-fluoro-3-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-1,2-benzoxazole
SMILESFc1ccc2c(C3CCN(CCn4cccn4)CC3)noc2c1
InChIInChI=1S/C17H19FN4O/c18-14-2-3-15-16(12-14)23-20-17(15)13-4-8-21(9-5-13)10-11-22-7-1-6-19-22/h1-3,6-7,12-13H,4-5,8-11H2
InChIKeyKHWOPSSBZJJMPV-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.04
Rot. Bonds4

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

6-fluoro-3-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-1,2-benzoxazole (PubChem CID 163352050) has the molecular formula C17H19FN4O and a molecular weight of 314.36 g/mol. Its IUPAC name is 6-fluoro-3-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-1,2-benzoxazole.

Molecular Properties

Compound Name6-fluoro-3-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-1,2-benzoxazole
PubChem CID163352050
Molecular FormulaC17H19FN4O
Molecular Weight314.36 g/mol
Exact Mass314.15
IUPAC Name6-fluoro-3-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-1,2-benzoxazole
SMILESFc1ccc2c(C3CCN(CCn4cccn4)CC3)noc2c1
InChIInChI=1S/C17H19FN4O/c18-14-2-3-15-16(12-14)23-20-17(15)13-4-8-21(9-5-13)10-11-22-7-1-6-19-22/h1-3,6-7,12-13H,4-5,8-11H2
InChIKeyKHWOPSSBZJJMPV-UHFFFAOYSA-N
XLogP3.04
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-fluoro-3-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]-1,2-benzoxazole
CID 163352118
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
6-fluoro-3-[1-(3-pyrimidin-2-yloxypropyl)piperidin-4-yl]-1,2-benzoxazole
CID 15384967
3-ethyl-1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]pentan-3-ol
CID 18467342
4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexan-1-amine
CID 25206209
N-ethyl-3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-1-amine;dihydrochloride
CID 156540523
6-fluoro-3-[1-(4-indazol-1-ylbutyl)piperidin-4-yl]-1,2-benzoxazole
CID 141322818
6-fluoro-3-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1,2-benzoxazole
CID 138038779
3-(1-chloropiperidin-4-yl)-6-fluoro-1,2-benzoxazole
CID 89080294
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
6-fluoro-3-[1-[3-(7-fluoronaphthalen-1-yl)oxypropyl]piperidin-4-yl]-1,2-benzoxazole;hydrochloride
CID 70245042

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-1,2-benzoxazole?
The IUPAC name of 6-fluoro-3-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-1,2-benzoxazole (CID 163352050) is 6-fluoro-3-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-1,2-benzoxazole.
What is the SMILES notation for 6-fluoro-3-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-1,2-benzoxazole?
The canonical SMILES for 6-fluoro-3-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-1,2-benzoxazole is Fc1ccc2c(C3CCN(CCn4cccn4)CC3)noc2c1.
What is the InChIKey of 6-fluoro-3-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-1,2-benzoxazole?
The InChIKey is KHWOPSSBZJJMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O/c18-14-2-3-15-16(12-14)23-20-17(15)13-4-8-21(9-5-13)10-11-22-7-1-6-19-22/h1-3,6-7,12-13H,4-5,8-11H2.
What are the key properties of 6-fluoro-3-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-1,2-benzoxazole?
6-fluoro-3-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-1,2-benzoxazole has a molecular weight of 314.36 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-1,2-benzoxazole is sourced from PubChem (CID 163352050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).