5-[2-[4-(6-fluoro-2,1-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one

C22H22FN3O2 — CID 67867741

IUPAC5-[2-[4-(6-fluoro-2,1-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(CCN3CCC(c4onc5cc(F)ccc45)CC3)ccc2N1
InChIInChI=1S/C22H22FN3O2/c23-17-2-3-18-20(13-17)25-28-22(18)15-6-9-26(10-7-15)8-5-14-1-4-19-16(11-14)12-21(27)24-19/h1-4,11,13,15H,5-10,12H2,(H,24,27)
InChIKeyBFMGUVOYWJUTSJ-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.88
Rot. Bonds4

About 5-[2-[4-(6-fluoro-2,1-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one

5-[2-[4-(6-fluoro-2,1-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one (PubChem CID 67867741) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is 5-[2-[4-(6-fluoro-2,1-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-[4-(6-fluoro-2,1-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one
PubChem CID67867741
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name5-[2-[4-(6-fluoro-2,1-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(CCN3CCC(c4onc5cc(F)ccc45)CC3)ccc2N1
InChIInChI=1S/C22H22FN3O2/c23-17-2-3-18-20(13-17)25-28-22(18)15-6-9-26(10-7-15)8-5-14-1-4-19-16(11-14)12-21(27)24-19/h1-4,11,13,15H,5-10,12H2,(H,24,27)
InChIKeyBFMGUVOYWJUTSJ-UHFFFAOYSA-N
XLogP3.88
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[2-[4-(6-fluoro-2,1-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one with MolForge

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Related Compounds

3-[4-(6-fluoro-2,1-benzoxazol-3-yl)piperidin-1-yl]propan-1-amine
CID 67691459
2-[2-[4-(6-fluoro-2,1-benzoxazol-3-yl)piperidin-1-yl]ethyl]isoindole-1,3-dione
CID 67691316
5-(2-morpholin-4-ylethyl)-1,3-dihydroindol-2-one
CID 10198779
5-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one
CID 14819328
5-[2-[4-(1-benzothiophen-4-yl)piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one
CID 138374863
3-[1-[3-(4-ethyl-3-methoxyphenoxy)propyl]piperidin-4-yl]-6-fluoro-2,1-benzoxazole
CID 19040937
5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-1,3-dihydroindol-2-one
CID 11176199
6-[2-(4-hydroxypiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 96669721
N-[5-acetyl-2-[3-[4-(6-fluoro-2,1-benzoxazol-3-yl)piperidin-1-yl]propoxy]phenyl]acetamide
CID 67691156
6-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one
CID 10023495
[3-[2-[4-(6-fluoro-2,1-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl] tetradecanoate
CID 68921542
6-[3-(4-phenylpiperidin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one
CID 13120864

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(6-fluoro-2,1-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-[4-(6-fluoro-2,1-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one (CID 67867741) is 5-[2-[4-(6-fluoro-2,1-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-[4-(6-fluoro-2,1-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-[4-(6-fluoro-2,1-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one is O=C1Cc2cc(CCN3CCC(c4onc5cc(F)ccc45)CC3)ccc2N1.
What is the InChIKey of 5-[2-[4-(6-fluoro-2,1-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one?
The InChIKey is BFMGUVOYWJUTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c23-17-2-3-18-20(13-17)25-28-22(18)15-6-9-26(10-7-15)8-5-14-1-4-19-16(11-14)12-21(27)24-19/h1-4,11,13,15H,5-10,12H2,(H,24,27).
What are the key properties of 5-[2-[4-(6-fluoro-2,1-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one?
5-[2-[4-(6-fluoro-2,1-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one has a molecular weight of 379.44 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(6-fluoro-2,1-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 67867741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).