N-[(2-chloro-6-fluorophenyl)methyl]-1-(1,2-oxazol-3-yl)methanamine

C11H10ClFN2O — CID 79496119

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-1-(1,2-oxazol-3-yl)methanamine
SMILESFc1cccc(Cl)c1CNCc1ccon1
InChIInChI=1S/C11H10ClFN2O/c12-10-2-1-3-11(13)9(10)7-14-6-8-4-5-16-15-8/h1-5,14H,6-7H2
InChIKeyAEMSFKSUHJXZOW-UHFFFAOYSA-N
MW240.67 g/mol
LogP2.76
Rot. Bonds4

About N-[(2-chloro-6-fluorophenyl)methyl]-1-(1,2-oxazol-3-yl)methanamine

N-[(2-chloro-6-fluorophenyl)methyl]-1-(1,2-oxazol-3-yl)methanamine (PubChem CID 79496119) has the molecular formula C11H10ClFN2O and a molecular weight of 240.67 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-1-(1,2-oxazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-1-(1,2-oxazol-3-yl)methanamine
PubChem CID79496119
Molecular FormulaC11H10ClFN2O
Molecular Weight240.67 g/mol
Exact Mass240.05
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-1-(1,2-oxazol-3-yl)methanamine
SMILESFc1cccc(Cl)c1CNCc1ccon1
InChIInChI=1S/C11H10ClFN2O/c12-10-2-1-3-11(13)9(10)7-14-6-8-4-5-16-15-8/h1-5,14H,6-7H2
InChIKeyAEMSFKSUHJXZOW-UHFFFAOYSA-N
XLogP2.76
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.67
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-1-(1,2-oxazol-3-yl)methanamine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-1-(1,2-oxazol-3-yl)methanamine (CID 79496119) is N-[(2-chloro-6-fluorophenyl)methyl]-1-(1,2-oxazol-3-yl)methanamine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-1-(1,2-oxazol-3-yl)methanamine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-1-(1,2-oxazol-3-yl)methanamine is Fc1cccc(Cl)c1CNCc1ccon1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-1-(1,2-oxazol-3-yl)methanamine?
The InChIKey is AEMSFKSUHJXZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O/c12-10-2-1-3-11(13)9(10)7-14-6-8-4-5-16-15-8/h1-5,14H,6-7H2.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-1-(1,2-oxazol-3-yl)methanamine?
N-[(2-chloro-6-fluorophenyl)methyl]-1-(1,2-oxazol-3-yl)methanamine has a molecular weight of 240.67 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-1-(1,2-oxazol-3-yl)methanamine is sourced from PubChem (CID 79496119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).