1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride

C16H28Cl2N4O2 — CID 119857214

IUPAC1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
SMILESCc1noc(C)c1CN1CCN(C(=O)CC2CCCN2)CC1.Cl.Cl
InChIInChI=1S/C16H26N4O2.2ClH/c1-12-15(13(2)22-18-12)11-19-6-8-20(9-7-19)16(21)10-14-4-3-5-17-14;;/h14,17H,3-11H2,1-2H3;2*1H
InChIKeyJUTUXNIVXVVGOJ-UHFFFAOYSA-N
MW379.33 g/mol
LogP1.92
Rot. Bonds4

About 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride

1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride (PubChem CID 119857214) has the molecular formula C16H28Cl2N4O2 and a molecular weight of 379.33 g/mol. Its IUPAC name is 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride.

Molecular Properties

Compound Name1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
PubChem CID119857214
Molecular FormulaC16H28Cl2N4O2
Molecular Weight379.33 g/mol
Exact Mass378.16
IUPAC Name1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
SMILESCc1noc(C)c1CN1CCN(C(=O)CC2CCCN2)CC1.Cl.Cl
InChIInChI=1S/C16H26N4O2.2ClH/c1-12-15(13(2)22-18-12)11-19-6-8-20(9-7-19)16(21)10-14-4-3-5-17-14;;/h14,17H,3-11H2,1-2H3;2*1H
InChIKeyJUTUXNIVXVVGOJ-UHFFFAOYSA-N
XLogP1.92
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 119857152
1-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2-pyrrolidin-2-ylethanone;trihydrochloride
CID 119903057
1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119840009
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 146064499
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;dihydrochloride
CID 120644122
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carboxylic acid
CID 66621937
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-[(3R)-3-hydroxypiperidin-1-yl]ethanone
CID 94382598
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 111427223
1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119834001
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]pentan-1-one
CID 110646581
1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119832768
2-(4-aminophenyl)-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 119857160

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride?
The IUPAC name of 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride (CID 119857214) is 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride.
What is the SMILES notation for 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride?
The canonical SMILES for 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride is Cc1noc(C)c1CN1CCN(C(=O)CC2CCCN2)CC1.Cl.Cl.
What is the InChIKey of 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride?
The InChIKey is JUTUXNIVXVVGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2.2ClH/c1-12-15(13(2)22-18-12)11-19-6-8-20(9-7-19)16(21)10-14-4-3-5-17-14;;/h14,17H,3-11H2,1-2H3;2*1H.
What are the key properties of 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride?
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride has a molecular weight of 379.33 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride is sourced from PubChem (CID 119857214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).