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

C11H10ClFN2O — CID 107994677

IUPAC1-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
SMILESCNCc1ncc(-c2ccc(Cl)c(F)c2)o1
InChIInChI=1S/C11H10ClFN2O/c1-14-6-11-15-5-10(16-11)7-2-3-8(12)9(13)4-7/h2-5,14H,6H2,1H3
InChIKeyZLNYPFGHRHVNPC-UHFFFAOYSA-N
MW240.66 g/mol
LogP2.85
Rot. Bonds3

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

1-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine (PubChem CID 107994677) has the molecular formula C11H10ClFN2O and a molecular weight of 240.66 g/mol. Its IUPAC name is 1-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
PubChem CID107994677
Molecular FormulaC11H10ClFN2O
Molecular Weight240.66 g/mol
Exact Mass240.05
IUPAC Name1-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
SMILESCNCc1ncc(-c2ccc(Cl)c(F)c2)o1
InChIInChI=1S/C11H10ClFN2O/c1-14-6-11-15-5-10(16-11)7-2-3-8(12)9(13)4-7/h2-5,14H,6H2,1H3
InChIKeyZLNYPFGHRHVNPC-UHFFFAOYSA-N
XLogP2.85
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.66
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine (CID 107994677) is 1-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine is CNCc1ncc(-c2ccc(Cl)c(F)c2)o1.
What is the InChIKey of 1-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine?
The InChIKey is ZLNYPFGHRHVNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O/c1-14-6-11-15-5-10(16-11)7-2-3-8(12)9(13)4-7/h2-5,14H,6H2,1H3.
What are the key properties of 1-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine?
1-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine has a molecular weight of 240.66 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 107994677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).