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

C14H17F2N3O2 — CID 104636637

IUPAC2-[5-[(3,4-difluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine
SMILESCCOCC(C)(N)c1noc(Cc2ccc(F)c(F)c2)n1
InChIInChI=1S/C14H17F2N3O2/c1-3-20-8-14(2,17)13-18-12(21-19-13)7-9-4-5-10(15)11(16)6-9/h4-6H,3,7-8,17H2,1-2H3
InChIKeyDHFNOMGDCGGTCM-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.15
Rot. Bonds6

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

2-[5-[(3,4-difluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine (PubChem CID 104636637) has the molecular formula C14H17F2N3O2 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-[5-[(3,4-difluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine.

Molecular Properties

Compound Name2-[5-[(3,4-difluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine
PubChem CID104636637
Molecular FormulaC14H17F2N3O2
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name2-[5-[(3,4-difluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine
SMILESCCOCC(C)(N)c1noc(Cc2ccc(F)c(F)c2)n1
InChIInChI=1S/C14H17F2N3O2/c1-3-20-8-14(2,17)13-18-12(21-19-13)7-9-4-5-10(15)11(16)6-9/h4-6H,3,7-8,17H2,1-2H3
InChIKeyDHFNOMGDCGGTCM-UHFFFAOYSA-N
XLogP2.15
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine
CID 104636885
2-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 61354499
1-ethoxy-2-[5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104636768
1-ethoxy-2-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104636628
2-[5-[(3-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine
CID 104636845
1-ethoxy-2-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 113435681
2-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 104637393
2-[5-(3,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine
CID 104636799
2-[5-(2-ethoxyethyl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
CID 104636396
1-ethoxy-2-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 103310878
2-[5-(4-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine
CID 104636965
2-[5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine
CID 104637043

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3,4-difluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine?
The IUPAC name of 2-[5-[(3,4-difluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine (CID 104636637) is 2-[5-[(3,4-difluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine.
What is the SMILES notation for 2-[5-[(3,4-difluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine?
The canonical SMILES for 2-[5-[(3,4-difluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine is CCOCC(C)(N)c1noc(Cc2ccc(F)c(F)c2)n1.
What is the InChIKey of 2-[5-[(3,4-difluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine?
The InChIKey is DHFNOMGDCGGTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O2/c1-3-20-8-14(2,17)13-18-12(21-19-13)7-9-4-5-10(15)11(16)6-9/h4-6H,3,7-8,17H2,1-2H3.
What are the key properties of 2-[5-[(3,4-difluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine?
2-[5-[(3,4-difluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine has a molecular weight of 297.31 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3,4-difluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine is sourced from PubChem (CID 104636637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).