[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone

C23H22N4O4 — CID 16595051

IUPAC[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
SMILESCc1nc(COc2ccc(C(=O)N3CCC(c4nc5ccccc5o4)CC3)cc2)no1
InChIInChI=1S/C23H22N4O4/c1-15-24-21(26-31-15)14-29-18-8-6-17(7-9-18)23(28)27-12-10-16(11-13-27)22-25-19-4-2-3-5-20(19)30-22/h2-9,16H,10-14H2,1H3
InChIKeyCSXJXVFSBAOZGC-UHFFFAOYSA-N
MW418.45 g/mol
LogP4.12
Rot. Bonds5

About [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone

[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone (PubChem CID 16595051) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone.

Molecular Properties

Compound Name[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
PubChem CID16595051
Molecular FormulaC23H22N4O4
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC Name[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
SMILESCc1nc(COc2ccc(C(=O)N3CCC(c4nc5ccccc5o4)CC3)cc2)no1
InChIInChI=1S/C23H22N4O4/c1-15-24-21(26-31-15)14-29-18-8-6-17(7-9-18)23(28)27-12-10-16(11-13-27)22-25-19-4-2-3-5-20(19)30-22/h2-9,16H,10-14H2,1H3
InChIKeyCSXJXVFSBAOZGC-UHFFFAOYSA-N
XLogP4.12
TPSA94.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide
CID 24503509
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone
CID 16612988
(4-benzylpiperidin-1-yl)-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 46516189
[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-piperidin-1-ylmethanone
CID 46673348
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 55590615
(4-ethylphenyl)-[4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperazin-1-yl]methanone
CID 55586338
[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 55494322
2-[1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-1,3-benzoxazole
CID 25366019
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone
CID 31187279
tert-butyl 4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperazine-1-carboxylate
CID 31122195
1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-4-(4-methylphenoxy)butan-1-one
CID 29360167
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(4-nitrophenyl)methanone
CID 17011771

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone?
The IUPAC name of [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone (CID 16595051) is [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone.
What is the SMILES notation for [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone?
The canonical SMILES for [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone is Cc1nc(COc2ccc(C(=O)N3CCC(c4nc5ccccc5o4)CC3)cc2)no1.
What is the InChIKey of [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone?
The InChIKey is CSXJXVFSBAOZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4/c1-15-24-21(26-31-15)14-29-18-8-6-17(7-9-18)23(28)27-12-10-16(11-13-27)22-25-19-4-2-3-5-20(19)30-22/h2-9,16H,10-14H2,1H3.
What are the key properties of [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone?
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone has a molecular weight of 418.45 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone is sourced from PubChem (CID 16595051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).