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

C15H26Cl2N4O3 — CID 119399314

IUPAC1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-morpholin-2-ylethanone;dihydrochloride
SMILESCc1cc(CN2CCN(C(=O)CC3CNCCO3)CC2)on1.Cl.Cl
InChIInChI=1S/C15H24N4O3.2ClH/c1-12-8-14(22-17-12)11-18-3-5-19(6-4-18)15(20)9-13-10-16-2-7-21-13;;/h8,13,16H,2-7,9-11H2,1H3;2*1H
InChIKeyXRNWDDKUTITMLR-UHFFFAOYSA-N
MW381.30 g/mol
LogP0.85
Rot. Bonds4

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

1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-morpholin-2-ylethanone;dihydrochloride (PubChem CID 119399314) has the molecular formula C15H26Cl2N4O3 and a molecular weight of 381.30 g/mol. Its IUPAC name is 1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-morpholin-2-ylethanone;dihydrochloride.

Molecular Properties

Compound Name1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-morpholin-2-ylethanone;dihydrochloride
PubChem CID119399314
Molecular FormulaC15H26Cl2N4O3
Molecular Weight381.30 g/mol
Exact Mass380.14
IUPAC Name1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-morpholin-2-ylethanone;dihydrochloride
SMILESCc1cc(CN2CCN(C(=O)CC3CNCCO3)CC2)on1.Cl.Cl
InChIInChI=1S/C15H24N4O3.2ClH/c1-12-8-14(22-17-12)11-18-3-5-19(6-4-18)15(20)9-13-10-16-2-7-21-13;;/h8,13,16H,2-7,9-11H2,1H3;2*1H
InChIKeyXRNWDDKUTITMLR-UHFFFAOYSA-N
XLogP0.85
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.30
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-morpholin-2-ylethanone;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-morpholin-2-ylethanone
CID 119399315
2-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone;dihydrochloride
CID 119399319
1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-morpholin-2-ylethanone
CID 119832752
3-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]butan-1-one;dihydrochloride
CID 119399329
1-(4-methylsulfonylpiperazin-1-yl)-2-morpholin-2-ylethanone;hydrochloride
CID 119696186
1-(azepan-1-yl)-2-morpholin-2-ylethanone
CID 66433560
2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 127883238
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-morpholin-2-ylethanone
CID 119828406
1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[(2S)-morpholin-2-yl]ethanone
CID 97143351
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone;dihydrochloride
CID 119399338
2-amino-2-methyl-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propan-1-one
CID 61264451
2-morpholin-2-yl-1-thiomorpholin-4-ylethanone
CID 66434733

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-morpholin-2-ylethanone;dihydrochloride?
The IUPAC name of 1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-morpholin-2-ylethanone;dihydrochloride (CID 119399314) is 1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-morpholin-2-ylethanone;dihydrochloride.
What is the SMILES notation for 1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-morpholin-2-ylethanone;dihydrochloride?
The canonical SMILES for 1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-morpholin-2-ylethanone;dihydrochloride is Cc1cc(CN2CCN(C(=O)CC3CNCCO3)CC2)on1.Cl.Cl.
What is the InChIKey of 1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-morpholin-2-ylethanone;dihydrochloride?
The InChIKey is XRNWDDKUTITMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3.2ClH/c1-12-8-14(22-17-12)11-18-3-5-19(6-4-18)15(20)9-13-10-16-2-7-21-13;;/h8,13,16H,2-7,9-11H2,1H3;2*1H.
What are the key properties of 1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-morpholin-2-ylethanone;dihydrochloride?
1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-morpholin-2-ylethanone;dihydrochloride has a molecular weight of 381.30 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-morpholin-2-ylethanone;dihydrochloride is sourced from PubChem (CID 119399314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).