1-[5-(4-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine

C11H11ClFN3O — CID 62164952

IUPAC1-[5-(4-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
SMILESCNC(C)c1nnc(-c2ccc(Cl)cc2F)o1
InChIInChI=1S/C11H11ClFN3O/c1-6(14-2)10-15-16-11(17-10)8-4-3-7(12)5-9(8)13/h3-6,14H,1-2H3
InChIKeyCWOSPONBCYHLJY-UHFFFAOYSA-N
MW255.68 g/mol
LogP2.81
Rot. Bonds3

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

1-[5-(4-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine (PubChem CID 62164952) has the molecular formula C11H11ClFN3O and a molecular weight of 255.68 g/mol. Its IUPAC name is 1-[5-(4-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-(4-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
PubChem CID62164952
Molecular FormulaC11H11ClFN3O
Molecular Weight255.68 g/mol
Exact Mass255.06
IUPAC Name1-[5-(4-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
SMILESCNC(C)c1nnc(-c2ccc(Cl)cc2F)o1
InChIInChI=1S/C11H11ClFN3O/c1-6(14-2)10-15-16-11(17-10)8-4-3-7(12)5-9(8)13/h3-6,14H,1-2H3
InChIKeyCWOSPONBCYHLJY-UHFFFAOYSA-N
XLogP2.81
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.68
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(2-bromo-4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 107993085
1-[5-(2,4-difluoro-5-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 113396555
1-[5-(5-bromo-2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62163744
1-[5-(2-bromo-5-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 81117716
(1R)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine
CID 55276652
2-(2-bromo-4-chlorophenyl)-5-propan-2-yl-1,3,4-oxadiazole
CID 104530681
3-[5-(4-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 55039360
1-[5-(4-bromo-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 115370032
1-[5-(4-chloro-2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 114028151
N-[(1S)-1-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-4-fluoro-2-methoxyaniline
CID 99705194
1-[5-(3-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 80642159
N-methyl-1-(5-quinoxalin-5-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 104615660

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine?
The IUPAC name of 1-[5-(4-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine (CID 62164952) is 1-[5-(4-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[5-(4-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[5-(4-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine is CNC(C)c1nnc(-c2ccc(Cl)cc2F)o1.
What is the InChIKey of 1-[5-(4-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine?
The InChIKey is CWOSPONBCYHLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3O/c1-6(14-2)10-15-16-11(17-10)8-4-3-7(12)5-9(8)13/h3-6,14H,1-2H3.
What are the key properties of 1-[5-(4-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine?
1-[5-(4-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine has a molecular weight of 255.68 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 62164952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).