[3-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone

C22H23N3O3 — CID 20932299

IUPAC[3-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone
SMILESCc1cccc(OCc2nc(-c3cccc(C(=O)N4CCCCC4)c3)no2)c1
InChIInChI=1S/C22H23N3O3/c1-16-7-5-10-19(13-16)27-15-20-23-21(24-28-20)17-8-6-9-18(14-17)22(26)25-11-3-2-4-12-25/h5-10,13-14H,2-4,11-12,15H2,1H3
InChIKeyMEQKNTBKWSKTIS-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.25
Rot. Bonds5

About [3-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone

[3-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone (PubChem CID 20932299) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is [3-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone
PubChem CID20932299
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name[3-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone
SMILESCc1cccc(OCc2nc(-c3cccc(C(=O)N4CCCCC4)c3)no2)c1
InChIInChI=1S/C22H23N3O3/c1-16-7-5-10-19(13-16)27-15-20-23-21(24-28-20)17-8-6-9-18(14-17)22(26)25-11-3-2-4-12-25/h5-10,13-14H,2-4,11-12,15H2,1H3
InChIKeyMEQKNTBKWSKTIS-UHFFFAOYSA-N
XLogP4.25
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

5-[(3-methylphenoxy)methyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole
CID 46329211
1-[3-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-3-propan-2-ylurea
CID 50778432
(3-methylphenyl)-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 91907894
2-[3-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-(3-methylphenyl)acetamide
CID 45032538
5-[(3-methylphenoxy)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 845224
azepan-1-yl-[5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 19488187
5-[(3,4-dimethylphenoxy)methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 807858
[3-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone
CID 46321657
1-[3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone
CID 112787991
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone
CID 50779143
1-cyclopentyl-3-methyl-6-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one
CID 53065353

Frequently Asked Questions

What is the IUPAC name of [3-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [3-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone (CID 20932299) is [3-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone is Cc1cccc(OCc2nc(-c3cccc(C(=O)N4CCCCC4)c3)no2)c1.
What is the InChIKey of [3-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone?
The InChIKey is MEQKNTBKWSKTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-16-7-5-10-19(13-16)27-15-20-23-21(24-28-20)17-8-6-9-18(14-17)22(26)25-11-3-2-4-12-25/h5-10,13-14H,2-4,11-12,15H2,1H3.
What are the key properties of [3-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone?
[3-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone has a molecular weight of 377.44 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 20932299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).