(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-fluoro-2-methylphenyl)methanamine

C14H18FN3O — CID 62134993

IUPAC(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-fluoro-2-methylphenyl)methanamine
SMILESCc1cc(F)ccc1C(N)c1noc(C(C)(C)C)n1
InChIInChI=1S/C14H18FN3O/c1-8-7-9(15)5-6-10(8)11(16)12-17-13(19-18-12)14(2,3)4/h5-7,11H,16H2,1-4H3
InChIKeyGUUDCIBTDXWCNU-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.86
Rot. Bonds2

About (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-fluoro-2-methylphenyl)methanamine

(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-fluoro-2-methylphenyl)methanamine (PubChem CID 62134993) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-fluoro-2-methylphenyl)methanamine.

Molecular Properties

Compound Name(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-fluoro-2-methylphenyl)methanamine
PubChem CID62134993
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-fluoro-2-methylphenyl)methanamine
SMILESCc1cc(F)ccc1C(N)c1noc(C(C)(C)C)n1
InChIInChI=1S/C14H18FN3O/c1-8-7-9(15)5-6-10(8)11(16)12-17-13(19-18-12)14(2,3)4/h5-7,11H,16H2,1-4H3
InChIKeyGUUDCIBTDXWCNU-UHFFFAOYSA-N
XLogP2.86
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-fluoro-2-methylphenyl)methanamine?
The IUPAC name of (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-fluoro-2-methylphenyl)methanamine (CID 62134993) is (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-fluoro-2-methylphenyl)methanamine.
What is the SMILES notation for (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-fluoro-2-methylphenyl)methanamine?
The canonical SMILES for (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-fluoro-2-methylphenyl)methanamine is Cc1cc(F)ccc1C(N)c1noc(C(C)(C)C)n1.
What is the InChIKey of (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-fluoro-2-methylphenyl)methanamine?
The InChIKey is GUUDCIBTDXWCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-8-7-9(15)5-6-10(8)11(16)12-17-13(19-18-12)14(2,3)4/h5-7,11H,16H2,1-4H3.
What are the key properties of (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-fluoro-2-methylphenyl)methanamine?
(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-fluoro-2-methylphenyl)methanamine has a molecular weight of 263.32 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-fluoro-2-methylphenyl)methanamine is sourced from PubChem (CID 62134993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).