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

C12H13F2N3O — CID 62661463

IUPACN-[[5-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nnc(-c2cccc(F)c2F)o1
InChIInChI=1S/C12H13F2N3O/c1-7(2)15-6-10-16-17-12(18-10)8-4-3-5-9(13)11(8)14/h3-5,7,15H,6H2,1-2H3
InChIKeyHTZLZOSIWSNYRR-UHFFFAOYSA-N
MW253.25 g/mol
LogP2.51
Rot. Bonds4

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

N-[[5-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine (PubChem CID 62661463) has the molecular formula C12H13F2N3O and a molecular weight of 253.25 g/mol. Its IUPAC name is N-[[5-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
PubChem CID62661463
Molecular FormulaC12H13F2N3O
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC NameN-[[5-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nnc(-c2cccc(F)c2F)o1
InChIInChI=1S/C12H13F2N3O/c1-7(2)15-6-10-16-17-12(18-10)8-4-3-5-9(13)11(8)14/h3-5,7,15H,6H2,1-2H3
InChIKeyHTZLZOSIWSNYRR-UHFFFAOYSA-N
XLogP2.51
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 62661640
N-(2,3-difluorophenyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106969724
3-[5-(2-fluoro-3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 81477223
N-[2-[5-(2-chloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 81461156
N-[[5-(3-methyl-2-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62137041
N-[[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62136857
N-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62278238
N-[[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 79205528
N-[[5-(2,3,4-trifluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 79756384
2,6-difluoro-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652104
N-[[5-(4-iodophenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62138872
4-[5-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 55099628

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine (CID 62661463) is N-[[5-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine is CC(C)NCc1nnc(-c2cccc(F)c2F)o1.
What is the InChIKey of N-[[5-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The InChIKey is HTZLZOSIWSNYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O/c1-7(2)15-6-10-16-17-12(18-10)8-4-3-5-9(13)11(8)14/h3-5,7,15H,6H2,1-2H3.
What are the key properties of N-[[5-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
N-[[5-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine has a molecular weight of 253.25 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62661463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).