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

C14H18FN3O — CID 62137777

IUPACN-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1nnc(Cc2ccccc2F)o1
InChIInChI=1S/C14H18FN3O/c1-14(2,3)16-9-13-18-17-12(19-13)8-10-6-4-5-7-11(10)15/h4-7,16H,8-9H2,1-3H3
InChIKeyVLAAOTHOZRWJQY-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.69
Rot. Bonds4

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

N-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62137777) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is N-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID62137777
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC NameN-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1nnc(Cc2ccccc2F)o1
InChIInChI=1S/C14H18FN3O/c1-14(2,3)16-9-13-18-17-12(19-13)8-10-6-4-5-7-11(10)15/h4-7,16H,8-9H2,1-3H3
InChIKeyVLAAOTHOZRWJQY-UHFFFAOYSA-N
XLogP2.69
TPSA50.95 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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine (CID 62137777) is N-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1nnc(Cc2ccccc2F)o1.
What is the InChIKey of N-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is VLAAOTHOZRWJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-14(2,3)16-9-13-18-17-12(19-13)8-10-6-4-5-7-11(10)15/h4-7,16H,8-9H2,1-3H3.
What are the key properties of N-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine?
N-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 263.32 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62137777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).