(3-methylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride

C14H18Cl2N4O2 — CID 119579801

IUPAC(3-methylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride
SMILESCC1CN(C(=O)c2cc(-c3cccnc3)on2)CCN1.Cl.Cl
InChIInChI=1S/C14H16N4O2.2ClH/c1-10-9-18(6-5-16-10)14(19)12-7-13(20-17-12)11-3-2-4-15-8-11;;/h2-4,7-8,10,16H,5-6,9H2,1H3;2*1H
InChIKeyJWMHNJGNXAYUKB-UHFFFAOYSA-N
MW345.23 g/mol
LogP2.01
Rot. Bonds2

About (3-methylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride

(3-methylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride (PubChem CID 119579801) has the molecular formula C14H18Cl2N4O2 and a molecular weight of 345.23 g/mol. Its IUPAC name is (3-methylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name(3-methylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride
PubChem CID119579801
Molecular FormulaC14H18Cl2N4O2
Molecular Weight345.23 g/mol
Exact Mass344.08
IUPAC Name(3-methylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride
SMILESCC1CN(C(=O)c2cc(-c3cccnc3)on2)CCN1.Cl.Cl
InChIInChI=1S/C14H16N4O2.2ClH/c1-10-9-18(6-5-16-10)14(19)12-7-13(20-17-12)11-3-2-4-15-8-11;;/h2-4,7-8,10,16H,5-6,9H2,1H3;2*1H
InChIKeyJWMHNJGNXAYUKB-UHFFFAOYSA-N
XLogP2.01
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3-methylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;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

(4-methylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 17253092
(5-pyridin-3-yl-1,2-oxazol-3-yl)-thiomorpholin-4-ylmethanone
CID 87019769
[3-(fluoromethyl)pyrrolidin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 163351427
phenyl-[4-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
CID 166181719
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride
CID 120813991
(5-methyl-1,2-oxazol-3-yl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81428158
(2-methylpiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 22427477
1-[[1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)azetidin-3-yl]methyl]pyrrolidine-2,5-dione
CID 126851197
N-methyl-2-[4-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]acetamide
CID 87017159
(3-methylpiperazin-1-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone;dihydrochloride
CID 119580533
(4-benzhydrylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 50760121
(5-pyridin-3-yl-1,2-oxazol-3-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334447

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride?
The IUPAC name of (3-methylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride (CID 119579801) is (3-methylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride.
What is the SMILES notation for (3-methylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride?
The canonical SMILES for (3-methylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride is CC1CN(C(=O)c2cc(-c3cccnc3)on2)CCN1.Cl.Cl.
What is the InChIKey of (3-methylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride?
The InChIKey is JWMHNJGNXAYUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2.2ClH/c1-10-9-18(6-5-16-10)14(19)12-7-13(20-17-12)11-3-2-4-15-8-11;;/h2-4,7-8,10,16H,5-6,9H2,1H3;2*1H.
What are the key properties of (3-methylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride?
(3-methylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride has a molecular weight of 345.23 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride is sourced from PubChem (CID 119579801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).