[4-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-phenylmethanone

C19H24N4O2 — CID 126775264

IUPAC[4-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(Cc2nc(C3CCCC3)no2)CC1
InChIInChI=1S/C19H24N4O2/c24-19(16-8-2-1-3-9-16)23-12-10-22(11-13-23)14-17-20-18(21-25-17)15-6-4-5-7-15/h1-3,8-9,15H,4-7,10-14H2
InChIKeySYAGRITUQPPRRH-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.69
Rot. Bonds4

About [4-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-phenylmethanone

[4-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-phenylmethanone (PubChem CID 126775264) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is [4-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-phenylmethanone
PubChem CID126775264
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name[4-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(Cc2nc(C3CCCC3)no2)CC1
InChIInChI=1S/C19H24N4O2/c24-19(16-8-2-1-3-9-16)23-12-10-22(11-13-23)14-17-20-18(21-25-17)15-6-4-5-7-15/h1-3,8-9,15H,4-7,10-14H2
InChIKeySYAGRITUQPPRRH-UHFFFAOYSA-N
XLogP2.69
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-phenylmethanone
CID 90641474
(1R)-2-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-1-phenylethanol
CID 95309336
[4-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-phenylmethanone
CID 46572988
[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(4-phenylphenyl)methanone
CID 26113719
2-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]isoindole-1,3-dione
CID 91811095
(3-methylphenyl)-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 91907894
3-cyclopropyl-5-[(4-ethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 47022082
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylic acid
CID 56686775
3-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]propanoic acid
CID 62217364
2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone
CID 65334732
[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 91918423
(3-methyl-1,2-oxazol-5-yl)-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 37250144

Frequently Asked Questions

What is the IUPAC name of [4-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-phenylmethanone (CID 126775264) is [4-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCN(Cc2nc(C3CCCC3)no2)CC1.
What is the InChIKey of [4-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-phenylmethanone?
The InChIKey is SYAGRITUQPPRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-19(16-8-2-1-3-9-16)23-12-10-22(11-13-23)14-17-20-18(21-25-17)15-6-4-5-7-15/h1-3,8-9,15H,4-7,10-14H2.
What are the key properties of [4-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-phenylmethanone?
[4-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-phenylmethanone has a molecular weight of 340.43 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 126775264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).