3-amino-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride

C12H22Cl2N4O2 — CID 119835222

IUPAC3-amino-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride
SMILESCc1cc(CN2CCN(C(=O)CCN)CC2)no1.Cl.Cl
InChIInChI=1S/C12H20N4O2.2ClH/c1-10-8-11(14-18-10)9-15-4-6-16(7-5-15)12(17)2-3-13;;/h8H,2-7,9,13H2,1H3;2*1H
InChIKeyGJJZFOKGWRWHKO-UHFFFAOYSA-N
MW325.24 g/mol
LogP0.82
Rot. Bonds4

About 3-amino-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride

3-amino-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride (PubChem CID 119835222) has the molecular formula C12H22Cl2N4O2 and a molecular weight of 325.24 g/mol. Its IUPAC name is 3-amino-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride.

Molecular Properties

Compound Name3-amino-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride
PubChem CID119835222
Molecular FormulaC12H22Cl2N4O2
Molecular Weight325.24 g/mol
Exact Mass324.11
IUPAC Name3-amino-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride
SMILESCc1cc(CN2CCN(C(=O)CCN)CC2)no1.Cl.Cl
InChIInChI=1S/C12H20N4O2.2ClH/c1-10-8-11(14-18-10)9-15-4-6-16(7-5-15)12(17)2-3-13;;/h8H,2-7,9,13H2,1H3;2*1H
InChIKeyGJJZFOKGWRWHKO-UHFFFAOYSA-N
XLogP0.82
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.24
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]pentan-1-one
CID 110422916
(1-aminocyclopropyl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
CID 119835162
1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 56810666
2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 71942307
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-1-one
CID 55590815
(2S)-2-amino-3,3-dimethyl-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]butan-1-one
CID 119835196
(5-methylfuran-2-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
CID 56810132
(1-hydroxycyclopentyl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
CID 110907005
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone
CID 8636472
N-(2-fluorophenyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide
CID 86907151
3-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119882488
[(1R,2S)-2-aminocyclopentyl]-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
CID 124697211

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride?
The IUPAC name of 3-amino-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride (CID 119835222) is 3-amino-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride.
What is the SMILES notation for 3-amino-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride?
The canonical SMILES for 3-amino-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride is Cc1cc(CN2CCN(C(=O)CCN)CC2)no1.Cl.Cl.
What is the InChIKey of 3-amino-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride?
The InChIKey is GJJZFOKGWRWHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2.2ClH/c1-10-8-11(14-18-10)9-15-4-6-16(7-5-15)12(17)2-3-13;;/h8H,2-7,9,13H2,1H3;2*1H.
What are the key properties of 3-amino-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride?
3-amino-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride has a molecular weight of 325.24 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride is sourced from PubChem (CID 119835222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).