3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-1-(5-fluoro-1H-indol-3-yl)propan-1-ol

C23H23F2N3O2 — CID 176905337

IUPAC3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-1-(5-fluoro-1H-indol-3-yl)propan-1-ol
SMILESOC(CCN1CCC(c2noc3cc(F)ccc23)CC1)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C23H23F2N3O2/c24-15-2-4-20-18(11-15)19(13-26-20)21(29)7-10-28-8-5-14(6-9-28)23-17-3-1-16(25)12-22(17)30-27-23/h1-4,11-14,21,26,29H,5-10H2
InChIKeyKSBOXGVXUXGRIL-UHFFFAOYSA-N
MW411.45 g/mol
LogP4.89
Rot. Bonds5

About 3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-1-(5-fluoro-1H-indol-3-yl)propan-1-ol

3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-1-(5-fluoro-1H-indol-3-yl)propan-1-ol (PubChem CID 176905337) has the molecular formula C23H23F2N3O2 and a molecular weight of 411.45 g/mol. Its IUPAC name is 3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-1-(5-fluoro-1H-indol-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-1-(5-fluoro-1H-indol-3-yl)propan-1-ol
PubChem CID176905337
Molecular FormulaC23H23F2N3O2
Molecular Weight411.45 g/mol
Exact Mass411.18
IUPAC Name3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-1-(5-fluoro-1H-indol-3-yl)propan-1-ol
SMILESOC(CCN1CCC(c2noc3cc(F)ccc23)CC1)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C23H23F2N3O2/c24-15-2-4-20-18(11-15)19(13-26-20)21(29)7-10-28-8-5-14(6-9-28)23-17-3-1-16(25)12-22(17)30-27-23/h1-4,11-14,21,26,29H,5-10H2
InChIKeyKSBOXGVXUXGRIL-UHFFFAOYSA-N
XLogP4.89
TPSA65.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.45
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-3-(1-heptylpiperidin-4-yl)-1,2-benzoxazole
CID 174359166
6-fluoro-3-[1-(4-pyrrol-1-ylbutyl)piperidin-4-yl]-1,2-benzoxazole
CID 141322820
6-fluoro-3-[1-[3-(1H-indol-6-yloxy)propyl]piperidin-4-yl]-1,2-benzoxazole
CID 44628247
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
1-[5-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-1-hydroxypropyl]-2,3-dihydroindol-1-yl]propan-1-one
CID 166524096
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[5.2.1.02,6]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

Frequently Asked Questions

What is the IUPAC name of 3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-1-(5-fluoro-1H-indol-3-yl)propan-1-ol?
The IUPAC name of 3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-1-(5-fluoro-1H-indol-3-yl)propan-1-ol (CID 176905337) is 3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-1-(5-fluoro-1H-indol-3-yl)propan-1-ol.
What is the SMILES notation for 3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-1-(5-fluoro-1H-indol-3-yl)propan-1-ol?
The canonical SMILES for 3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-1-(5-fluoro-1H-indol-3-yl)propan-1-ol is OC(CCN1CCC(c2noc3cc(F)ccc23)CC1)c1c[nH]c2ccc(F)cc12.
What is the InChIKey of 3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-1-(5-fluoro-1H-indol-3-yl)propan-1-ol?
The InChIKey is KSBOXGVXUXGRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N3O2/c24-15-2-4-20-18(11-15)19(13-26-20)21(29)7-10-28-8-5-14(6-9-28)23-17-3-1-16(25)12-22(17)30-27-23/h1-4,11-14,21,26,29H,5-10H2.
What are the key properties of 3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-1-(5-fluoro-1H-indol-3-yl)propan-1-ol?
3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-1-(5-fluoro-1H-indol-3-yl)propan-1-ol has a molecular weight of 411.45 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-1-(5-fluoro-1H-indol-3-yl)propan-1-ol is sourced from PubChem (CID 176905337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).