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

C14H17F2N3O — CID 62817982

IUPAC2-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine
SMILESCCNC(C)(C)c1nc(Cc2cc(F)cc(F)c2)no1
InChIInChI=1S/C14H17F2N3O/c1-4-17-14(2,3)13-18-12(19-20-13)7-9-5-10(15)8-11(16)6-9/h5-6,8,17H,4,7H2,1-3H3
InChIKeyYCTBNDNEQOBGMG-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.78
Rot. Bonds5

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

2-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine (PubChem CID 62817982) has the molecular formula C14H17F2N3O and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine.

Molecular Properties

Compound Name2-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine
PubChem CID62817982
Molecular FormulaC14H17F2N3O
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name2-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine
SMILESCCNC(C)(C)c1nc(Cc2cc(F)cc(F)c2)no1
InChIInChI=1S/C14H17F2N3O/c1-4-17-14(2,3)13-18-12(19-20-13)7-9-5-10(15)8-11(16)6-9/h5-6,8,17H,4,7H2,1-3H3
InChIKeyYCTBNDNEQOBGMG-UHFFFAOYSA-N
XLogP2.78
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine
CID 62817984
1-cyclopropyl-1-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 64667284
N-ethyl-2-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 62818520
N-ethyl-2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 55123400
N-ethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 62819214
3-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 63350013
5-(1-chloroethyl)-3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazole
CID 54959267
1-amino-1-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 61496533
N-ethyl-2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 55123829
2-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 54959365
2-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-one
CID 63560275
3-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-ol
CID 63349816

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine?
The IUPAC name of 2-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine (CID 62817982) is 2-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine.
What is the SMILES notation for 2-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine?
The canonical SMILES for 2-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine is CCNC(C)(C)c1nc(Cc2cc(F)cc(F)c2)no1.
What is the InChIKey of 2-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine?
The InChIKey is YCTBNDNEQOBGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O/c1-4-17-14(2,3)13-18-12(19-20-13)7-9-5-10(15)8-11(16)6-9/h5-6,8,17H,4,7H2,1-3H3.
What are the key properties of 2-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine?
2-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine has a molecular weight of 281.31 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine is sourced from PubChem (CID 62817982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).