2-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethoxy]-1-phenylethanol

C22H25FN2O3 — CID 139810883

IUPAC2-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethoxy]-1-phenylethanol
SMILESOC(COCCN1CCC(c2noc3ccc(F)cc23)CC1)c1ccccc1
InChIInChI=1S/C22H25FN2O3/c23-18-6-7-21-19(14-18)22(24-28-21)17-8-10-25(11-9-17)12-13-27-15-20(26)16-4-2-1-3-5-16/h1-7,14,17,20,26H,8-13,15H2
InChIKeyZDTCIIFJSLZIIL-UHFFFAOYSA-N
MW384.45 g/mol
LogP3.90
Rot. Bonds7

About 2-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethoxy]-1-phenylethanol

2-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethoxy]-1-phenylethanol (PubChem CID 139810883) has the molecular formula C22H25FN2O3 and a molecular weight of 384.45 g/mol. Its IUPAC name is 2-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethoxy]-1-phenylethanol.

Molecular Properties

Compound Name2-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethoxy]-1-phenylethanol
PubChem CID139810883
Molecular FormulaC22H25FN2O3
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC Name2-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethoxy]-1-phenylethanol
SMILESOC(COCCN1CCC(c2noc3ccc(F)cc23)CC1)c1ccccc1
InChIInChI=1S/C22H25FN2O3/c23-18-6-7-21-19(14-18)22(24-28-21)17-8-10-25(11-9-17)12-13-27-15-20(26)16-4-2-1-3-5-16/h1-7,14,17,20,26H,8-13,15H2
InChIKeyZDTCIIFJSLZIIL-UHFFFAOYSA-N
XLogP3.90
TPSA58.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-3-[1-[3-(2-methoxyphenoxy)propyl]piperidin-4-yl]-1,2-benzoxazole
CID 140972227
1-[4-[3-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone
CID 10320252
6-fluoro-3-[1-[2-(4-fluorophenoxy)-2-phenylethyl]piperidin-4-yl]-1,2-benzoxazole
CID 58057988
1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-phenoxypropan-2-ol
CID 140972247
3-[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-5-methoxy-1,2-benzoxazole;hydrobromide
CID 13078365
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-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperidin-4-yl]-1,2-benzoxazole;hydrochloride
CID 56598994
1-phenyl-2-(2-pyrrolidin-1-ylethoxy)ethanol;hydrochloride
CID 138397159
6-fluoro-3-[1-(4-pyrrol-1-ylbutyl)piperidin-4-yl]-1,2-benzoxazole
CID 141322820
1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-(2-propan-2-yloxyphenoxy)propan-2-ol
CID 70244470
3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-1-(5-fluoro-1H-indol-3-yl)propan-1-ol
CID 176905337

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethoxy]-1-phenylethanol?
The IUPAC name of 2-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethoxy]-1-phenylethanol (CID 139810883) is 2-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethoxy]-1-phenylethanol.
What is the SMILES notation for 2-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethoxy]-1-phenylethanol?
The canonical SMILES for 2-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethoxy]-1-phenylethanol is OC(COCCN1CCC(c2noc3ccc(F)cc23)CC1)c1ccccc1.
What is the InChIKey of 2-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethoxy]-1-phenylethanol?
The InChIKey is ZDTCIIFJSLZIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3/c23-18-6-7-21-19(14-18)22(24-28-21)17-8-10-25(11-9-17)12-13-27-15-20(26)16-4-2-1-3-5-16/h1-7,14,17,20,26H,8-13,15H2.
What are the key properties of 2-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethoxy]-1-phenylethanol?
2-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethoxy]-1-phenylethanol has a molecular weight of 384.45 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethoxy]-1-phenylethanol is sourced from PubChem (CID 139810883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).