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

C13H15F2N3O — CID 62163275

IUPACN-[2-[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
SMILESCC(C)NCCc1nnc(-c2cc(F)cc(F)c2)o1
InChIInChI=1S/C13H15F2N3O/c1-8(2)16-4-3-12-17-18-13(19-12)9-5-10(14)7-11(15)6-9/h5-8,16H,3-4H2,1-2H3
InChIKeyKITIOBPUVFGCFX-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.56
Rot. Bonds5

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

N-[2-[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine (PubChem CID 62163275) has the molecular formula C13H15F2N3O and a molecular weight of 267.28 g/mol. Its IUPAC name is N-[2-[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
PubChem CID62163275
Molecular FormulaC13H15F2N3O
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC NameN-[2-[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
SMILESCC(C)NCCc1nnc(-c2cc(F)cc(F)c2)o1
InChIInChI=1S/C13H15F2N3O/c1-8(2)16-4-3-12-17-18-13(19-12)9-5-10(14)7-11(15)6-9/h5-8,16H,3-4H2,1-2H3
InChIKeyKITIOBPUVFGCFX-UHFFFAOYSA-N
XLogP2.56
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine (CID 62163275) is N-[2-[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine is CC(C)NCCc1nnc(-c2cc(F)cc(F)c2)o1.
What is the InChIKey of N-[2-[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine?
The InChIKey is KITIOBPUVFGCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O/c1-8(2)16-4-3-12-17-18-13(19-12)9-5-10(14)7-11(15)6-9/h5-8,16H,3-4H2,1-2H3.
What are the key properties of N-[2-[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine?
N-[2-[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine has a molecular weight of 267.28 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine is sourced from PubChem (CID 62163275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).