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

C11H12ClFN2O — CID 3049274

IUPAC1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine;hydrochloride
SMILESCNCc1ncc(-c2ccc(F)cc2)o1.Cl
InChIInChI=1S/C11H11FN2O.ClH/c1-13-7-11-14-6-10(15-11)8-2-4-9(12)5-3-8;/h2-6,13H,7H2,1H3;1H
InChIKeyWJKBLZSZAJIDFZ-UHFFFAOYSA-N
MW242.68 g/mol
LogP2.62
Rot. Bonds3

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

1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine;hydrochloride (PubChem CID 3049274) has the molecular formula C11H12ClFN2O and a molecular weight of 242.68 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine;hydrochloride
PubChem CID3049274
Molecular FormulaC11H12ClFN2O
Molecular Weight242.68 g/mol
Exact Mass242.06
IUPAC Name1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine;hydrochloride
SMILESCNCc1ncc(-c2ccc(F)cc2)o1.Cl
InChIInChI=1S/C11H11FN2O.ClH/c1-13-7-11-14-6-10(15-11)8-2-4-9(12)5-3-8;/h2-6,13H,7H2,1H3;1H
InChIKeyWJKBLZSZAJIDFZ-UHFFFAOYSA-N
XLogP2.62
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.68
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine;hydrochloride (CID 3049274) is 1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine;hydrochloride is CNCc1ncc(-c2ccc(F)cc2)o1.Cl.
What is the InChIKey of 1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine;hydrochloride?
The InChIKey is WJKBLZSZAJIDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O.ClH/c1-13-7-11-14-6-10(15-11)8-2-4-9(12)5-3-8;/h2-6,13H,7H2,1H3;1H.
What are the key properties of 1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine;hydrochloride?
1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine;hydrochloride has a molecular weight of 242.68 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 3049274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).