1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-phenoxypropan-2-ol

C21H23FN2O3 — CID 140972247

IUPAC1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-phenoxypropan-2-ol
SMILESOC(COc1ccccc1)CN1CCC(c2noc3cc(F)ccc23)CC1
InChIInChI=1S/C21H23FN2O3/c22-16-6-7-19-20(12-16)27-23-21(19)15-8-10-24(11-9-15)13-17(25)14-26-18-4-2-1-3-5-18/h1-7,12,15,17,25H,8-11,13-14H2
InChIKeyDUSZWGGFFGHGAD-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.59
Rot. Bonds6

About 1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-phenoxypropan-2-ol

1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-phenoxypropan-2-ol (PubChem CID 140972247) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is 1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-phenoxypropan-2-ol
PubChem CID140972247
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC Name1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-phenoxypropan-2-ol
SMILESOC(COc1ccccc1)CN1CCC(c2noc3cc(F)ccc23)CC1
InChIInChI=1S/C21H23FN2O3/c22-16-6-7-19-20(12-16)27-23-21(19)15-8-10-24(11-9-15)13-17(25)14-26-18-4-2-1-3-5-18/h1-7,12,15,17,25H,8-11,13-14H2
InChIKeyDUSZWGGFFGHGAD-UHFFFAOYSA-N
XLogP3.59
TPSA58.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-(2-propan-2-yloxyphenoxy)propan-2-ol
CID 70244470
6-fluoro-3-[1-[2-(4-fluorophenoxy)-2-phenylethyl]piperidin-4-yl]-1,2-benzoxazole
CID 58057988
(2R)-1-(4-benzylpiperidin-1-yl)-3-[3-(6-fluoro-1,2-benzoxazol-3-yl)phenoxy]propan-2-ol
CID 69418548
[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-methylpropyl] N-methylcarbamate
CID 67071116
2-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-hydroxybutyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 14576387
(E)-but-2-enedioic acid;[(2R)-3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-methylpropyl] ethaneperoxoate
CID 22867481
(E)-but-2-enedioic acid;3-[1-[2-(1,3-dihydroisoindol-2-yl)propyl]piperidin-4-yl]-6-fluoro-1,2-benzoxazole
CID 18467304
1-[4-(aminomethyl)-4-phenylpiperidin-1-yl]-3-[4-(6-fluoro-1,2-benzoxazol-3-yl)phenoxy]propan-2-ol
CID 142050413
6-fluoro-3-[1-(3-pyrimidin-2-yloxypropyl)piperidin-4-yl]-1,2-benzoxazole
CID 15384967
1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-phenoxypropan-2-ol
CID 141041914
N-tert-butyl-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]acetamide
CID 155980716
1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-3-phenoxypropan-2-ol
CID 138959633

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-phenoxypropan-2-ol?
The IUPAC name of 1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-phenoxypropan-2-ol (CID 140972247) is 1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-phenoxypropan-2-ol?
The canonical SMILES for 1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-phenoxypropan-2-ol is OC(COc1ccccc1)CN1CCC(c2noc3cc(F)ccc23)CC1.
What is the InChIKey of 1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-phenoxypropan-2-ol?
The InChIKey is DUSZWGGFFGHGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3/c22-16-6-7-19-20(12-16)27-23-21(19)15-8-10-24(11-9-15)13-17(25)14-26-18-4-2-1-3-5-18/h1-7,12,15,17,25H,8-11,13-14H2.
What are the key properties of 1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-phenoxypropan-2-ol?
1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-phenoxypropan-2-ol has a molecular weight of 370.42 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-phenoxypropan-2-ol is sourced from PubChem (CID 140972247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).