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

C14H15ClN4O2 — CID 110691904

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone
SMILESCc1nonc1C(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C14H15ClN4O2/c1-10-13(17-21-16-10)14(20)19-7-5-18(6-8-19)12-4-2-3-11(15)9-12/h2-4,9H,5-8H2,1H3
InChIKeyUETBUHTZFOTDKW-UHFFFAOYSA-N
MW306.75 g/mol
LogP1.99
Rot. Bonds2

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

[4-(3-chlorophenyl)piperazin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone (PubChem CID 110691904) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone
PubChem CID110691904
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone
SMILESCc1nonc1C(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C14H15ClN4O2/c1-10-13(17-21-16-10)14(20)19-7-5-18(6-8-19)12-4-2-3-11(15)9-12/h2-4,9H,5-8H2,1H3
InChIKeyUETBUHTZFOTDKW-UHFFFAOYSA-N
XLogP1.99
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-chlorophenyl)piperazin-1-yl]-(5-methyl-2H-triazol-4-yl)methanone
CID 110691694
[4-(3-chlorophenyl)piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 3759803
[4-(3-chlorophenyl)piperazin-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 96588883
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884
[4-(3-chlorophenyl)piperazin-1-yl]-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
CID 1005082
ethyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3591480
[4-(3-chlorophenyl)piperazin-1-yl]-(5-phenyl-1,3-oxazol-4-yl)methanone
CID 11360631
[4-(3-chlorophenyl)piperazin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
CID 17191313
[4-(3-chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 788974
(2-chlorofuran-3-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 106685249
[4-(3-chlorophenyl)piperazin-1-yl]-(6-methylpyrimidin-4-yl)methanone
CID 110854458
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methylphthalazin-1-one
CID 2683196

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone (CID 110691904) is [4-(3-chlorophenyl)piperazin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone is Cc1nonc1C(=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone?
The InChIKey is UETBUHTZFOTDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c1-10-13(17-21-16-10)14(20)19-7-5-18(6-8-19)12-4-2-3-11(15)9-12/h2-4,9H,5-8H2,1H3.
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone has a molecular weight of 306.75 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone is sourced from PubChem (CID 110691904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).