2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-hydroxypropyl]-3H-isoindol-1-one

C23H24FN3O3 — CID 57339704

IUPAC2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-hydroxypropyl]-3H-isoindol-1-one
SMILESO=C1c2ccccc2CN1CC(CO)N1CCC(c2noc3cc(F)ccc23)CC1
InChIInChI=1S/C23H24FN3O3/c24-17-5-6-20-21(11-17)30-25-22(20)15-7-9-26(10-8-15)18(14-28)13-27-12-16-3-1-2-4-19(16)23(27)29/h1-6,11,15,18,28H,7-10,12-14H2
InChIKeyCAMCAPPHFSFXSO-UHFFFAOYSA-N
MW409.46 g/mol
LogP3.16
Rot. Bonds5

About 2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-hydroxypropyl]-3H-isoindol-1-one

2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-hydroxypropyl]-3H-isoindol-1-one (PubChem CID 57339704) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is 2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-hydroxypropyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-hydroxypropyl]-3H-isoindol-1-one
PubChem CID57339704
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC Name2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-hydroxypropyl]-3H-isoindol-1-one
SMILESO=C1c2ccccc2CN1CC(CO)N1CCC(c2noc3cc(F)ccc23)CC1
InChIInChI=1S/C23H24FN3O3/c24-17-5-6-20-21(11-17)30-25-22(20)15-7-9-26(10-8-15)18(14-28)13-27-12-16-3-1-2-4-19(16)23(27)29/h1-6,11,15,18,28H,7-10,12-14H2
InChIKeyCAMCAPPHFSFXSO-UHFFFAOYSA-N
XLogP3.16
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-hydroxypropyl]-3H-isoindol-1-one with MolForge

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Related Compounds

3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-1-ol
CID 57339707
3-(5-chloro-1,3-dihydroisoindol-2-yl)-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-1-ol
CID 57339695
(E)-but-2-enedioic acid;3-[1-[2-(1,3-dihydroisoindol-2-yl)propyl]piperidin-4-yl]-6-fluoro-1,2-benzoxazole
CID 18467304
2-[[1-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]piperidin-4-yl]methyl]-3H-isoindol-1-one;hydrochloride
CID 21078206
2-[[4-[4-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]phenyl]phenyl]methyl]isoindole-1,3-dione
CID 139959533
2-[[3-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]quinoxalin-2-yl]methyl]isoindole-1,3-dione
CID 139959494
3-(1-chloropiperidin-4-yl)-6-fluoro-1,2-benzoxazole
CID 89080294
1-ethyl-4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-(2-methylpropyl)imidazolidin-2-one
CID 70068733
1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]prop-2-en-1-one
CID 127267392
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
4-(6-fluoro-1,2-benzoxazol-3-yl)-N-[6-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]amino]hexyl]piperidine-1-carboxamide
CID 59651081

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-hydroxypropyl]-3H-isoindol-1-one?
The IUPAC name of 2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-hydroxypropyl]-3H-isoindol-1-one (CID 57339704) is 2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-hydroxypropyl]-3H-isoindol-1-one.
What is the SMILES notation for 2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-hydroxypropyl]-3H-isoindol-1-one?
The canonical SMILES for 2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-hydroxypropyl]-3H-isoindol-1-one is O=C1c2ccccc2CN1CC(CO)N1CCC(c2noc3cc(F)ccc23)CC1.
What is the InChIKey of 2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-hydroxypropyl]-3H-isoindol-1-one?
The InChIKey is CAMCAPPHFSFXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3/c24-17-5-6-20-21(11-17)30-25-22(20)15-7-9-26(10-8-15)18(14-28)13-27-12-16-3-1-2-4-19(16)23(27)29/h1-6,11,15,18,28H,7-10,12-14H2.
What are the key properties of 2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-hydroxypropyl]-3H-isoindol-1-one?
2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-hydroxypropyl]-3H-isoindol-1-one has a molecular weight of 409.46 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-hydroxypropyl]-3H-isoindol-1-one is sourced from PubChem (CID 57339704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).