2-[(3S)-1-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-1,3-benzoxazole

C23H24N4O2 — CID 25373315

IUPAC2-[(3S)-1-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-1,3-benzoxazole
SMILESc1ccc(CCc2noc(CN3CCC[C@H](c4nc5ccccc5o4)C3)n2)cc1
InChIInChI=1S/C23H24N4O2/c1-2-7-17(8-3-1)12-13-21-25-22(29-26-21)16-27-14-6-9-18(15-27)23-24-19-10-4-5-11-20(19)28-23/h1-5,7-8,10-11,18H,6,9,12-16H2/t18-/m0/s1
InChIKeyZZFXFMODUQFGHA-SFHVURJKSA-N
MW388.47 g/mol
LogP4.38
Rot. Bonds6

About 2-[(3S)-1-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-1,3-benzoxazole

2-[(3S)-1-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-1,3-benzoxazole (PubChem CID 25373315) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-[(3S)-1-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[(3S)-1-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-1,3-benzoxazole
PubChem CID25373315
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name2-[(3S)-1-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-1,3-benzoxazole
SMILESc1ccc(CCc2noc(CN3CCC[C@H](c4nc5ccccc5o4)C3)n2)cc1
InChIInChI=1S/C23H24N4O2/c1-2-7-17(8-3-1)12-13-21-25-22(29-26-21)16-27-14-6-9-18(15-27)23-24-19-10-4-5-11-20(19)28-23/h1-5,7-8,10-11,18H,6,9,12-16H2/t18-/m0/s1
InChIKeyZZFXFMODUQFGHA-SFHVURJKSA-N
XLogP4.38
TPSA68.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-1,3-benzoxazole
CID 42960378
[4-[[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]phenyl]methanol
CID 110009367
2-[1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-1,3-benzoxazole
CID 25366019
2-[1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-1,3-benzoxazole
CID 126767222
2-[1-(2-methoxyethyl)piperidin-3-yl]-1,3-benzoxazole
CID 86984025
N-[4-[[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]phenyl]acetamide
CID 95129574
2-[(3S)-1-[3-(1-methylpyrazol-4-yl)propyl]piperidin-3-yl]-1,3-benzoxazole
CID 95585766
2-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-1,3-benzoxazole
CID 126811031
3-[[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]-5-chloro-1,2-benzoxazole
CID 171691065
2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-benzyl-N-tert-butylacetamide
CID 31988858
2-[1-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-1,3-benzoxazole
CID 126786710
[4-[[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 86984028

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-1,3-benzoxazole?
The IUPAC name of 2-[(3S)-1-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-1,3-benzoxazole (CID 25373315) is 2-[(3S)-1-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[(3S)-1-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[(3S)-1-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-1,3-benzoxazole is c1ccc(CCc2noc(CN3CCC[C@H](c4nc5ccccc5o4)C3)n2)cc1.
What is the InChIKey of 2-[(3S)-1-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-1,3-benzoxazole?
The InChIKey is ZZFXFMODUQFGHA-SFHVURJKSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-2-7-17(8-3-1)12-13-21-25-22(29-26-21)16-27-14-6-9-18(15-27)23-24-19-10-4-5-11-20(19)28-23/h1-5,7-8,10-11,18H,6,9,12-16H2/t18-/m0/s1.
What are the key properties of 2-[(3S)-1-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-1,3-benzoxazole?
2-[(3S)-1-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-1,3-benzoxazole has a molecular weight of 388.47 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-1,3-benzoxazole is sourced from PubChem (CID 25373315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).