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

C22H22N4O3 — CID 25366019

IUPAC2-[1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-1,3-benzoxazole
SMILESc1ccc(OCc2noc(CN3CCC(c4nc5ccccc5o4)CC3)n2)cc1
InChIInChI=1S/C22H22N4O3/c1-2-6-17(7-3-1)27-15-20-24-21(29-25-20)14-26-12-10-16(11-13-26)22-23-18-8-4-5-9-19(18)28-22/h1-9,16H,10-15H2
InChIKeyCSNIHAIRVUBCJK-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.17
Rot. Bonds6

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

2-[1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-1,3-benzoxazole (PubChem CID 25366019) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-[1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-1,3-benzoxazole
PubChem CID25366019
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name2-[1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-1,3-benzoxazole
SMILESc1ccc(OCc2noc(CN3CCC(c4nc5ccccc5o4)CC3)n2)cc1
InChIInChI=1S/C22H22N4O3/c1-2-6-17(7-3-1)27-15-20-24-21(29-25-20)14-26-12-10-16(11-13-26)22-23-18-8-4-5-9-19(18)28-22/h1-9,16H,10-15H2
InChIKeyCSNIHAIRVUBCJK-UHFFFAOYSA-N
XLogP4.17
TPSA77.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-1,3-benzoxazole with MolForge

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Related Compounds

[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 16595051
2-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]-1,3-benzoxazole
CID 17462415
5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 42095742
2-[(3S)-1-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-1,3-benzoxazole
CID 25373315
5-[(4-benzhydrylpiperazin-1-yl)methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 45249830
3-(phenoxymethyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 29026870
[1-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-phenylmethanol
CID 134043042
5-[[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 45175492
4-[[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]benzonitrile
CID 17409570
4-[1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]benzimidazol-2-yl]morpholine
CID 56914288
3-[(4-methylpiperazin-1-yl)methyl]-5-[(4-phenylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 72939419
5-(oxan-4-yl)-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 138999515

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-1,3-benzoxazole?
The IUPAC name of 2-[1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-1,3-benzoxazole (CID 25366019) is 2-[1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-1,3-benzoxazole is c1ccc(OCc2noc(CN3CCC(c4nc5ccccc5o4)CC3)n2)cc1.
What is the InChIKey of 2-[1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-1,3-benzoxazole?
The InChIKey is CSNIHAIRVUBCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-2-6-17(7-3-1)27-15-20-24-21(29-25-20)14-26-12-10-16(11-13-26)22-23-18-8-4-5-9-19(18)28-22/h1-9,16H,10-15H2.
What are the key properties of 2-[1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-1,3-benzoxazole?
2-[1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-1,3-benzoxazole has a molecular weight of 390.44 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-1,3-benzoxazole is sourced from PubChem (CID 25366019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).