1-[3-fluoro-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine

C13H16FN3O2 — CID 107693169

IUPAC1-[3-fluoro-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine
SMILESCc1nc(COc2ccc(CC(C)N)cc2F)no1
InChIInChI=1S/C13H16FN3O2/c1-8(15)5-10-3-4-12(11(14)6-10)18-7-13-16-9(2)19-17-13/h3-4,6,8H,5,7,15H2,1-2H3
InChIKeyDJUURJFUGGDOSM-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.99
Rot. Bonds5

About 1-[3-fluoro-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine

1-[3-fluoro-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine (PubChem CID 107693169) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is 1-[3-fluoro-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-fluoro-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine
PubChem CID107693169
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name1-[3-fluoro-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine
SMILESCc1nc(COc2ccc(CC(C)N)cc2F)no1
InChIInChI=1S/C13H16FN3O2/c1-8(15)5-10-3-4-12(11(14)6-10)18-7-13-16-9(2)19-17-13/h3-4,6,8H,5,7,15H2,1-2H3
InChIKeyDJUURJFUGGDOSM-UHFFFAOYSA-N
XLogP1.99
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-fluoro-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 113389423
1-(3-fluoro-4-phenylmethoxyphenyl)propan-2-amine
CID 23037612
1-[3-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine
CID 107692930
1-[3-fluoro-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanone
CID 112689447
1-[3-fluoro-4-[(3-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine
CID 107692926
1-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]propan-2-amine
CID 107693096
1-[3-fluoro-4-(1,3-thiazol-4-ylmethoxy)phenyl]propan-2-amine
CID 107693106
1-[5-bromo-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 62370024
[3-bromo-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
CID 63047206
1-[5-methyl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine
CID 63325984
1-[4-[(2-bromo-3-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine
CID 107693014
1-[5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]propan-2-amine
CID 79800090

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[3-fluoro-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine (CID 107693169) is 1-[3-fluoro-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-fluoro-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[3-fluoro-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine is Cc1nc(COc2ccc(CC(C)N)cc2F)no1.
What is the InChIKey of 1-[3-fluoro-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine?
The InChIKey is DJUURJFUGGDOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c1-8(15)5-10-3-4-12(11(14)6-10)18-7-13-16-9(2)19-17-13/h3-4,6,8H,5,7,15H2,1-2H3.
What are the key properties of 1-[3-fluoro-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine?
1-[3-fluoro-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine has a molecular weight of 265.29 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine is sourced from PubChem (CID 107693169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).