1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine;dihydrochloride

C11H13Cl3N2O — CID 3049270

IUPAC1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine;dihydrochloride
SMILESCNCc1ncc(-c2ccc(Cl)cc2)o1.Cl.Cl
InChIInChI=1S/C11H11ClN2O.2ClH/c1-13-7-11-14-6-10(15-11)8-2-4-9(12)5-3-8;;/h2-6,13H,7H2,1H3;2*1H
InChIKeyXAMCQHYQLYWQSB-UHFFFAOYSA-N
MW295.60 g/mol
LogP3.56
Rot. Bonds3

About 1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine;dihydrochloride

1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine;dihydrochloride (PubChem CID 3049270) has the molecular formula C11H13Cl3N2O and a molecular weight of 295.60 g/mol. Its IUPAC name is 1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine;dihydrochloride.

Molecular Properties

Compound Name1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine;dihydrochloride
PubChem CID3049270
Molecular FormulaC11H13Cl3N2O
Molecular Weight295.60 g/mol
Exact Mass294.01
IUPAC Name1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine;dihydrochloride
SMILESCNCc1ncc(-c2ccc(Cl)cc2)o1.Cl.Cl
InChIInChI=1S/C11H11ClN2O.2ClH/c1-13-7-11-14-6-10(15-11)8-2-4-9(12)5-3-8;;/h2-6,13H,7H2,1H3;2*1H
InChIKeyXAMCQHYQLYWQSB-UHFFFAOYSA-N
XLogP3.56
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.60
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine;dihydrochloride?
The IUPAC name of 1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine;dihydrochloride (CID 3049270) is 1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine;dihydrochloride.
What is the SMILES notation for 1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine;dihydrochloride?
The canonical SMILES for 1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine;dihydrochloride is CNCc1ncc(-c2ccc(Cl)cc2)o1.Cl.Cl.
What is the InChIKey of 1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine;dihydrochloride?
The InChIKey is XAMCQHYQLYWQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O.2ClH/c1-13-7-11-14-6-10(15-11)8-2-4-9(12)5-3-8;;/h2-6,13H,7H2,1H3;2*1H.
What are the key properties of 1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine;dihydrochloride?
1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine;dihydrochloride has a molecular weight of 295.60 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine;dihydrochloride is sourced from PubChem (CID 3049270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).