N-[[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine

C16H22FN3O — CID 64759564

IUPACN-[[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1nc(C(C)(C)c2ccc(F)cc2)no1
InChIInChI=1S/C16H22FN3O/c1-11(2)9-18-10-14-19-15(20-21-14)16(3,4)12-5-7-13(17)8-6-12/h5-8,11,18H,9-10H2,1-4H3
InChIKeyRUXYIPKRZRYSNL-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.28
Rot. Bonds6

About N-[[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine

N-[[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 64759564) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is N-[[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID64759564
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC NameN-[[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1nc(C(C)(C)c2ccc(F)cc2)no1
InChIInChI=1S/C16H22FN3O/c1-11(2)9-18-10-14-19-15(20-21-14)16(3,4)12-5-7-13(17)8-6-12/h5-8,11,18H,9-10H2,1-4H3
InChIKeyRUXYIPKRZRYSNL-UHFFFAOYSA-N
XLogP3.28
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine (CID 64759564) is N-[[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1nc(C(C)(C)c2ccc(F)cc2)no1.
What is the InChIKey of N-[[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is RUXYIPKRZRYSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c1-11(2)9-18-10-14-19-15(20-21-14)16(3,4)12-5-7-13(17)8-6-12/h5-8,11,18H,9-10H2,1-4H3.
What are the key properties of N-[[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine?
N-[[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 291.37 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 64759564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).