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

C13H15ClFN3O — CID 62164674

IUPACN-[2-[5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
SMILESCC(C)NCCc1nnc(-c2ccc(F)cc2Cl)o1
InChIInChI=1S/C13H15ClFN3O/c1-8(2)16-6-5-12-17-18-13(19-12)10-4-3-9(15)7-11(10)14/h3-4,7-8,16H,5-6H2,1-2H3
InChIKeyONOZLGKOUVILQO-UHFFFAOYSA-N
MW283.73 g/mol
LogP3.07
Rot. Bonds5

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

N-[2-[5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine (PubChem CID 62164674) has the molecular formula C13H15ClFN3O and a molecular weight of 283.73 g/mol. Its IUPAC name is N-[2-[5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
PubChem CID62164674
Molecular FormulaC13H15ClFN3O
Molecular Weight283.73 g/mol
Exact Mass283.09
IUPAC NameN-[2-[5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
SMILESCC(C)NCCc1nnc(-c2ccc(F)cc2Cl)o1
InChIInChI=1S/C13H15ClFN3O/c1-8(2)16-6-5-12-17-18-13(19-12)10-4-3-9(15)7-11(10)14/h3-4,7-8,16H,5-6H2,1-2H3
InChIKeyONOZLGKOUVILQO-UHFFFAOYSA-N
XLogP3.07
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.73
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 62164500
N-[2-[5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 62162780
3-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 62138908
N-[2-[5-(2-chloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 81461156
N-[2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 62163805
3-[5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62070768
N-[2-[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 62163275
3-[5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid
CID 54929338
N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 55044443
N-[2-[5-(4-ethylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 62164161
2-(1-bromopropyl)-5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazole
CID 62856351
3-[5-(2-fluoro-3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 81477223

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine (CID 62164674) is N-[2-[5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine is CC(C)NCCc1nnc(-c2ccc(F)cc2Cl)o1.
What is the InChIKey of N-[2-[5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine?
The InChIKey is ONOZLGKOUVILQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3O/c1-8(2)16-6-5-12-17-18-13(19-12)10-4-3-9(15)7-11(10)14/h3-4,7-8,16H,5-6H2,1-2H3.
What are the key properties of N-[2-[5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine?
N-[2-[5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine has a molecular weight of 283.73 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine is sourced from PubChem (CID 62164674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).