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

C15H20FN3O — CID 63211515

IUPAC3-[5-(4-fluoro-3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
SMILESCc1cc(-c2nnc(CCCNC(C)C)o2)ccc1F
InChIInChI=1S/C15H20FN3O/c1-10(2)17-8-4-5-14-18-19-15(20-14)12-6-7-13(16)11(3)9-12/h6-7,9-10,17H,4-5,8H2,1-3H3
InChIKeyWIFXROSUKVIAFK-UHFFFAOYSA-N
MW277.34 g/mol
LogP3.11
Rot. Bonds6

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

3-[5-(4-fluoro-3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine (PubChem CID 63211515) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 3-[5-(4-fluoro-3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-[5-(4-fluoro-3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
PubChem CID63211515
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name3-[5-(4-fluoro-3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
SMILESCc1cc(-c2nnc(CCCNC(C)C)o2)ccc1F
InChIInChI=1S/C15H20FN3O/c1-10(2)17-8-4-5-14-18-19-15(20-14)12-6-7-13(16)11(3)9-12/h6-7,9-10,17H,4-5,8H2,1-3H3
InChIKeyWIFXROSUKVIAFK-UHFFFAOYSA-N
XLogP3.11
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluoro-3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-[5-(4-fluoro-3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine (CID 63211515) is 3-[5-(4-fluoro-3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-[5-(4-fluoro-3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-[5-(4-fluoro-3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine is Cc1cc(-c2nnc(CCCNC(C)C)o2)ccc1F.
What is the InChIKey of 3-[5-(4-fluoro-3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine?
The InChIKey is WIFXROSUKVIAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-10(2)17-8-4-5-14-18-19-15(20-14)12-6-7-13(16)11(3)9-12/h6-7,9-10,17H,4-5,8H2,1-3H3.
What are the key properties of 3-[5-(4-fluoro-3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine?
3-[5-(4-fluoro-3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine has a molecular weight of 277.34 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluoro-3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 63211515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).