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

C14H18FN3O — CID 104904268

IUPAC(1R)-1-[3-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
SMILESCc1cc(F)cc(-c2noc([C@H](N)CC(C)C)n2)c1
InChIInChI=1S/C14H18FN3O/c1-8(2)4-12(16)14-17-13(18-19-14)10-5-9(3)6-11(15)7-10/h5-8,12H,4,16H2,1-3H3/t12-/m1/s1
InChIKeyVNBBRVUMTXLMNY-GFCCVEGCSA-N
MW263.32 g/mol
LogP3.23
Rot. Bonds4

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

(1R)-1-[3-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine (PubChem CID 104904268) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is (1R)-1-[3-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name(1R)-1-[3-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
PubChem CID104904268
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name(1R)-1-[3-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
SMILESCc1cc(F)cc(-c2noc([C@H](N)CC(C)C)n2)c1
InChIInChI=1S/C14H18FN3O/c1-8(2)4-12(16)14-17-13(18-19-14)10-5-9(3)6-11(15)7-10/h5-8,12H,4,16H2,1-3H3/t12-/m1/s1
InChIKeyVNBBRVUMTXLMNY-GFCCVEGCSA-N
XLogP3.23
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-3-methyl-1-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 103832706
(1R)-1-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 82625186
1-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 81492063
(1R)-1-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 82626741
4-[5-[(1R)-1-amino-3-methylbutyl]-1,2,4-oxadiazol-3-yl]phenol
CID 136775541
(1S)-3-methyl-1-(3-quinoxalin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 104881165
(1S)-1-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66263724
1-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63349567
(1S)-1-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 107145026
(1R)-1-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 104904277
ethyl 2-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 79474278
(1R)-1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 102949718

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine?
The IUPAC name of (1R)-1-[3-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine (CID 104904268) is (1R)-1-[3-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine.
What is the SMILES notation for (1R)-1-[3-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine?
The canonical SMILES for (1R)-1-[3-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine is Cc1cc(F)cc(-c2noc([C@H](N)CC(C)C)n2)c1.
What is the InChIKey of (1R)-1-[3-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine?
The InChIKey is VNBBRVUMTXLMNY-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-8(2)4-12(16)14-17-13(18-19-14)10-5-9(3)6-11(15)7-10/h5-8,12H,4,16H2,1-3H3/t12-/m1/s1.
What are the key properties of (1R)-1-[3-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine?
(1R)-1-[3-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine has a molecular weight of 263.32 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine is sourced from PubChem (CID 104904268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).