1-ethoxy-2-[5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine

C14H18FN3O2 — CID 104636768

IUPAC1-ethoxy-2-[5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCCOCC(C)(N)c1noc(-c2ccc(F)c(C)c2)n1
InChIInChI=1S/C14H18FN3O2/c1-4-19-8-14(3,16)13-17-12(20-18-13)10-5-6-11(15)9(2)7-10/h5-7H,4,8,16H2,1-3H3
InChIKeyWTQQRWYCTPDCFJ-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.39
Rot. Bonds5

About 1-ethoxy-2-[5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine

1-ethoxy-2-[5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 104636768) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is 1-ethoxy-2-[5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-ethoxy-2-[5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID104636768
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC Name1-ethoxy-2-[5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCCOCC(C)(N)c1noc(-c2ccc(F)c(C)c2)n1
InChIInChI=1S/C14H18FN3O2/c1-4-19-8-14(3,16)13-17-12(20-18-13)10-5-6-11(15)9(2)7-10/h5-7H,4,8,16H2,1-3H3
InChIKeyWTQQRWYCTPDCFJ-UHFFFAOYSA-N
XLogP2.39
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine
CID 104637043
2-[5-(3,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine
CID 104636799
4-[3-(2-amino-1-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline
CID 104636619
2-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 104637248
2-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 104637159
1-ethoxy-2-(5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)propan-2-amine
CID 102922612
2-[5-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine
CID 104637045
2-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine
CID 104637070
2-[5-[(3,4-difluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine
CID 104636637
3-bromo-5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazole
CID 112571626
2-[5-(4-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine
CID 104636965
[5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 63211461

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-[5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of 1-ethoxy-2-[5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 104636768) is 1-ethoxy-2-[5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for 1-ethoxy-2-[5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for 1-ethoxy-2-[5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine is CCOCC(C)(N)c1noc(-c2ccc(F)c(C)c2)n1.
What is the InChIKey of 1-ethoxy-2-[5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is WTQQRWYCTPDCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-4-19-8-14(3,16)13-17-12(20-18-13)10-5-6-11(15)9(2)7-10/h5-7H,4,8,16H2,1-3H3.
What are the key properties of 1-ethoxy-2-[5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
1-ethoxy-2-[5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 279.31 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-[5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 104636768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).