(5-cyclopropyl-1,2-oxazol-3-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride

C15H20ClN5O2 — CID 120877861

IUPAC(5-cyclopropyl-1,2-oxazol-3-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1C(=O)c1cc(C2CC2)on1
InChIInChI=1S/C15H19N5O2.ClH/c1-19-6-5-17-14(19)12-9-16-4-7-20(12)15(21)11-8-13(22-18-11)10-2-3-10;/h5-6,8,10,12,16H,2-4,7,9H2,1H3;1H
InChIKeyXKQODGYEAJIVTB-UHFFFAOYSA-N
MW337.81 g/mol
LogP1.49
Rot. Bonds3

About (5-cyclopropyl-1,2-oxazol-3-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride

(5-cyclopropyl-1,2-oxazol-3-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 120877861) has the molecular formula C15H20ClN5O2 and a molecular weight of 337.81 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-3-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-3-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
PubChem CID120877861
Molecular FormulaC15H20ClN5O2
Molecular Weight337.81 g/mol
Exact Mass337.13
IUPAC Name(5-cyclopropyl-1,2-oxazol-3-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1C(=O)c1cc(C2CC2)on1
InChIInChI=1S/C15H19N5O2.ClH/c1-19-6-5-17-14(19)12-9-16-4-7-20(12)15(21)11-8-13(22-18-11)10-2-3-10;/h5-6,8,10,12,16H,2-4,7,9H2,1H3;1H
InChIKeyXKQODGYEAJIVTB-UHFFFAOYSA-N
XLogP1.49
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120879630
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride
CID 120878699
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride
CID 120879273
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 120878312
(4-chloro-1H-pyrrol-2-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120877855
(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120878813
(3,5-dichlorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120880230
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120879017
(3,4-difluorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120880181
cyclooctyl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120879549
6-bicyclo[3.1.0]hexanyl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120880027
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 120879634

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride (CID 120877861) is (5-cyclopropyl-1,2-oxazol-3-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-3-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-3-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride is Cl.Cn1ccnc1C1CNCCN1C(=O)c1cc(C2CC2)on1.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-3-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?
The InChIKey is XKQODGYEAJIVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2.ClH/c1-19-6-5-17-14(19)12-9-16-4-7-20(12)15(21)11-8-13(22-18-11)10-2-3-10;/h5-6,8,10,12,16H,2-4,7,9H2,1H3;1H.
What are the key properties of (5-cyclopropyl-1,2-oxazol-3-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?
(5-cyclopropyl-1,2-oxazol-3-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 337.81 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,2-oxazol-3-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 120877861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).