3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;dihydrochloride

C19H26Cl3N3O2 — CID 119543119

IUPAC3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;dihydrochloride
SMILESCNCC1CCN(C(=O)CCc2ncc(-c3ccccc3Cl)o2)CC1.Cl.Cl
InChIInChI=1S/C19H24ClN3O2.2ClH/c1-21-12-14-8-10-23(11-9-14)19(24)7-6-18-22-13-17(25-18)15-4-2-3-5-16(15)20;;/h2-5,13-14,21H,6-12H2,1H3;2*1H
InChIKeyRUDMAHSFTKOHRE-UHFFFAOYSA-N
MW434.80 g/mol
LogP4.23
Rot. Bonds6

About 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;dihydrochloride

3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;dihydrochloride (PubChem CID 119543119) has the molecular formula C19H26Cl3N3O2 and a molecular weight of 434.80 g/mol. Its IUPAC name is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;dihydrochloride.

Molecular Properties

Compound Name3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;dihydrochloride
PubChem CID119543119
Molecular FormulaC19H26Cl3N3O2
Molecular Weight434.80 g/mol
Exact Mass433.11
IUPAC Name3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;dihydrochloride
SMILESCNCC1CCN(C(=O)CCc2ncc(-c3ccccc3Cl)o2)CC1.Cl.Cl
InChIInChI=1S/C19H24ClN3O2.2ClH/c1-21-12-14-8-10-23(11-9-14)19(24)7-6-18-22-13-17(25-18)15-4-2-3-5-16(15)20;;/h2-5,13-14,21H,6-12H2,1H3;2*1H
InChIKeyRUDMAHSFTKOHRE-UHFFFAOYSA-N
XLogP4.23
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.80
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;dihydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;dihydrochloride?
The IUPAC name of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;dihydrochloride (CID 119543119) is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;dihydrochloride.
What is the SMILES notation for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;dihydrochloride?
The canonical SMILES for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;dihydrochloride is CNCC1CCN(C(=O)CCc2ncc(-c3ccccc3Cl)o2)CC1.Cl.Cl.
What is the InChIKey of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;dihydrochloride?
The InChIKey is RUDMAHSFTKOHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2.2ClH/c1-21-12-14-8-10-23(11-9-14)19(24)7-6-18-22-13-17(25-18)15-4-2-3-5-16(15)20;;/h2-5,13-14,21H,6-12H2,1H3;2*1H.
What are the key properties of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;dihydrochloride?
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;dihydrochloride has a molecular weight of 434.80 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;dihydrochloride is sourced from PubChem (CID 119543119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).