[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-(4-methylpiperazin-1-yl)methanone

C15H16ClN3O2 — CID 15997087

IUPAC[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)CC1
InChIInChI=1S/C15H16ClN3O2/c1-18-6-8-19(9-7-18)15(20)13-10-14(21-17-13)11-2-4-12(16)5-3-11/h2-5,10H,6-9H2,1H3
InChIKeyYDCKLQOHXZQGEW-UHFFFAOYSA-N
MW305.76 g/mol
LogP2.38
Rot. Bonds2

About [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-(4-methylpiperazin-1-yl)methanone

[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 15997087) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.76 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID15997087
Molecular FormulaC15H16ClN3O2
Molecular Weight305.76 g/mol
Exact Mass305.09
IUPAC Name[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)CC1
InChIInChI=1S/C15H16ClN3O2/c1-18-6-8-19(9-7-18)15(20)13-10-14(21-17-13)11-2-4-12(16)5-3-11/h2-5,10H,6-9H2,1H3
InChIKeyYDCKLQOHXZQGEW-UHFFFAOYSA-N
XLogP2.38
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone;ethane
CID 144928448
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone
CID 95754562
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119562656
(4-benzylpiperazin-1-yl)-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methanone
CID 17252730
[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78862422
(4-methylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 17253092
5-(4-chlorophenyl)-1,2-oxazole-3-carboxylic acid
CID 1133644
[1-[5-(4-chlorophenyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]-phenylmethanone
CID 24682971
2-(4-chlorophenyl)-1-[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone
CID 112845684
(3-chlorophenyl)-[4-(5-phenyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
CID 35036906
methyl 4-[5-(4-hydroxyphenyl)-1,2-oxazole-3-carbonyl]piperazine-1-carboxylate
CID 166309978
azepan-1-yl-[5-(4-hydroxyphenyl)-1,2-oxazol-3-yl]methanone
CID 135573124

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-(4-methylpiperazin-1-yl)methanone (CID 15997087) is [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)CC1.
What is the InChIKey of [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is YDCKLQOHXZQGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-18-6-8-19(9-7-18)15(20)13-10-14(21-17-13)11-2-4-12(16)5-3-11/h2-5,10H,6-9H2,1H3.
What are the key properties of [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-(4-methylpiperazin-1-yl)methanone?
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 305.76 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 15997087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).