[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone

C17H19ClN4O3 — CID 93077111

IUPAC[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
SMILESO=C([C@H]1CCCO1)N1CCN(c2nc(-c3ccc(Cl)cc3)no2)CC1
InChIInChI=1S/C17H19ClN4O3/c18-13-5-3-12(4-6-13)15-19-17(25-20-15)22-9-7-21(8-10-22)16(23)14-2-1-11-24-14/h3-6,14H,1-2,7-11H2/t14-/m1/s1
InChIKeyQVZHETSPJHJWRA-CQSZACIVSA-N
MW362.82 g/mol
LogP2.22
Rot. Bonds3

About [4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone

[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone (PubChem CID 93077111) has the molecular formula C17H19ClN4O3 and a molecular weight of 362.82 g/mol. Its IUPAC name is [4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
PubChem CID93077111
Molecular FormulaC17H19ClN4O3
Molecular Weight362.82 g/mol
Exact Mass362.11
IUPAC Name[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
SMILESO=C([C@H]1CCCO1)N1CCN(c2nc(-c3ccc(Cl)cc3)no2)CC1
InChIInChI=1S/C17H19ClN4O3/c18-13-5-3-12(4-6-13)15-19-17(25-20-15)22-9-7-21(8-10-22)16(23)14-2-1-11-24-14/h3-6,14H,1-2,7-11H2/t14-/m1/s1
InChIKeyQVZHETSPJHJWRA-CQSZACIVSA-N
XLogP2.22
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone with MolForge

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Related Compounds

[4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 93074923
cyclopentyl-[4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone
CID 133350736
[4-[3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 171133397
[4-(2,4-dichlorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 113080191
[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 53003963
oxolan-2-yl-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078894
[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 91946535
[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 44917313
[4-(3,4-dichlorophenyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 1247457
[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 95243006
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 2971476
[4-[4-(5-chloro-2-pyridinyl)benzoyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 86274435

Frequently Asked Questions

What is the IUPAC name of [4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The IUPAC name of [4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone (CID 93077111) is [4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone.
What is the SMILES notation for [4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The canonical SMILES for [4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone is O=C([C@H]1CCCO1)N1CCN(c2nc(-c3ccc(Cl)cc3)no2)CC1.
What is the InChIKey of [4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The InChIKey is QVZHETSPJHJWRA-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19ClN4O3/c18-13-5-3-12(4-6-13)15-19-17(25-20-15)22-9-7-21(8-10-22)16(23)14-2-1-11-24-14/h3-6,14H,1-2,7-11H2/t14-/m1/s1.
What are the key properties of [4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone?
[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone has a molecular weight of 362.82 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone is sourced from PubChem (CID 93077111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).