2-[5-[3-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine

C12H13F2N3O2 — CID 62164986

IUPAC2-[5-[3-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine
SMILESCNCCc1nnc(-c2cccc(OC(F)F)c2)o1
InChIInChI=1S/C12H13F2N3O2/c1-15-6-5-10-16-17-11(19-10)8-3-2-4-9(7-8)18-12(13)14/h2-4,7,12,15H,5-6H2,1H3
InChIKeyZDIALJLHDBKWKW-UHFFFAOYSA-N
MW269.25 g/mol
LogP2.10
Rot. Bonds6

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

2-[5-[3-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine (PubChem CID 62164986) has the molecular formula C12H13F2N3O2 and a molecular weight of 269.25 g/mol. Its IUPAC name is 2-[5-[3-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[5-[3-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine
PubChem CID62164986
Molecular FormulaC12H13F2N3O2
Molecular Weight269.25 g/mol
Exact Mass269.10
IUPAC Name2-[5-[3-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine
SMILESCNCCc1nnc(-c2cccc(OC(F)F)c2)o1
InChIInChI=1S/C12H13F2N3O2/c1-15-6-5-10-16-17-11(19-10)8-3-2-4-9(7-8)18-12(13)14/h2-4,7,12,15H,5-6H2,1H3
InChIKeyZDIALJLHDBKWKW-UHFFFAOYSA-N
XLogP2.10
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[5-[3-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 62165008
2-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62164297
2-(3-chloropropyl)-5-(3-propan-2-yloxyphenyl)-1,3,4-oxadiazole
CID 62919288
methyl N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate
CID 110321860
2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 55044345
2-[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62162897
2-ethyl-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]butanamide
CID 110321810
1-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 62139034
N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propanamide
CID 110321801
2-[5-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 114026388
2-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 55043972
3-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 62138343

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine?
The IUPAC name of 2-[5-[3-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine (CID 62164986) is 2-[5-[3-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 2-[5-[3-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine?
The canonical SMILES for 2-[5-[3-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine is CNCCc1nnc(-c2cccc(OC(F)F)c2)o1.
What is the InChIKey of 2-[5-[3-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine?
The InChIKey is ZDIALJLHDBKWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O2/c1-15-6-5-10-16-17-11(19-10)8-3-2-4-9(7-8)18-12(13)14/h2-4,7,12,15H,5-6H2,1H3.
What are the key properties of 2-[5-[3-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine?
2-[5-[3-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine has a molecular weight of 269.25 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 62164986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).