(3-butan-2-yl-1,2-oxazol-5-yl)-[2-(3-chlorophenyl)piperazin-1-yl]methanone

C18H22ClN3O2 — CID 120803013

IUPAC(3-butan-2-yl-1,2-oxazol-5-yl)-[2-(3-chlorophenyl)piperazin-1-yl]methanone
SMILESCCC(C)c1cc(C(=O)N2CCNCC2c2cccc(Cl)c2)on1
InChIInChI=1S/C18H22ClN3O2/c1-3-12(2)15-10-17(24-21-15)18(23)22-8-7-20-11-16(22)13-5-4-6-14(19)9-13/h4-6,9-10,12,16,20H,3,7-8,11H2,1-2H3
InChIKeyVPIVBBGPJZFMSU-UHFFFAOYSA-N
MW347.85 g/mol
LogP3.63
Rot. Bonds4

About (3-butan-2-yl-1,2-oxazol-5-yl)-[2-(3-chlorophenyl)piperazin-1-yl]methanone

(3-butan-2-yl-1,2-oxazol-5-yl)-[2-(3-chlorophenyl)piperazin-1-yl]methanone (PubChem CID 120803013) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is (3-butan-2-yl-1,2-oxazol-5-yl)-[2-(3-chlorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-butan-2-yl-1,2-oxazol-5-yl)-[2-(3-chlorophenyl)piperazin-1-yl]methanone
PubChem CID120803013
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC Name(3-butan-2-yl-1,2-oxazol-5-yl)-[2-(3-chlorophenyl)piperazin-1-yl]methanone
SMILESCCC(C)c1cc(C(=O)N2CCNCC2c2cccc(Cl)c2)on1
InChIInChI=1S/C18H22ClN3O2/c1-3-12(2)15-10-17(24-21-15)18(23)22-8-7-20-11-16(22)13-5-4-6-14(19)9-13/h4-6,9-10,12,16,20H,3,7-8,11H2,1-2H3
InChIKeyVPIVBBGPJZFMSU-UHFFFAOYSA-N
XLogP3.63
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one
CID 120802746
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-methylpentan-1-one
CID 120802410
[2-(3-chlorophenyl)piperazin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone
CID 120803215
[2-(3-chlorophenyl)piperazin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 120802596
[2-(3-chlorophenyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride
CID 120802183
1-[2-(3-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 120802381
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-methoxypropan-1-one
CID 120803481
[2-(3-chlorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 120801994
[2-(3-chlorophenyl)piperazin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone;dihydrochloride
CID 120801821
[2-(3-chlorophenyl)piperazin-1-yl]-(5-chloro-2-pyridinyl)methanone
CID 120802965
[2-(3-chlorophenyl)piperazin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 120801878
[2-(3-chlorophenyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 120802374

Frequently Asked Questions

What is the IUPAC name of (3-butan-2-yl-1,2-oxazol-5-yl)-[2-(3-chlorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (3-butan-2-yl-1,2-oxazol-5-yl)-[2-(3-chlorophenyl)piperazin-1-yl]methanone (CID 120803013) is (3-butan-2-yl-1,2-oxazol-5-yl)-[2-(3-chlorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-butan-2-yl-1,2-oxazol-5-yl)-[2-(3-chlorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-butan-2-yl-1,2-oxazol-5-yl)-[2-(3-chlorophenyl)piperazin-1-yl]methanone is CCC(C)c1cc(C(=O)N2CCNCC2c2cccc(Cl)c2)on1.
What is the InChIKey of (3-butan-2-yl-1,2-oxazol-5-yl)-[2-(3-chlorophenyl)piperazin-1-yl]methanone?
The InChIKey is VPIVBBGPJZFMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c1-3-12(2)15-10-17(24-21-15)18(23)22-8-7-20-11-16(22)13-5-4-6-14(19)9-13/h4-6,9-10,12,16,20H,3,7-8,11H2,1-2H3.
What are the key properties of (3-butan-2-yl-1,2-oxazol-5-yl)-[2-(3-chlorophenyl)piperazin-1-yl]methanone?
(3-butan-2-yl-1,2-oxazol-5-yl)-[2-(3-chlorophenyl)piperazin-1-yl]methanone has a molecular weight of 347.85 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-butan-2-yl-1,2-oxazol-5-yl)-[2-(3-chlorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 120803013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).