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

C13H15ClFN3O — CID 62137964

IUPACN-[[5-(5-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1nnc(-c2cc(Cl)ccc2F)o1
InChIInChI=1S/C13H15ClFN3O/c1-13(2,3)16-7-11-17-18-12(19-11)9-6-8(14)4-5-10(9)15/h4-6,16H,7H2,1-3H3
InChIKeyRWBLSFLRYNHIGL-UHFFFAOYSA-N
MW283.73 g/mol
LogP3.42
Rot. Bonds3

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

N-[[5-(5-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62137964) has the molecular formula C13H15ClFN3O and a molecular weight of 283.73 g/mol. Its IUPAC name is N-[[5-(5-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-(5-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID62137964
Molecular FormulaC13H15ClFN3O
Molecular Weight283.73 g/mol
Exact Mass283.09
IUPAC NameN-[[5-(5-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1nnc(-c2cc(Cl)ccc2F)o1
InChIInChI=1S/C13H15ClFN3O/c1-13(2,3)16-7-11-17-18-12(19-11)9-6-8(14)4-5-10(9)15/h4-6,16H,7H2,1-3H3
InChIKeyRWBLSFLRYNHIGL-UHFFFAOYSA-N
XLogP3.42
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.73
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(5-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-(5-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine (CID 62137964) is N-[[5-(5-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-(5-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-(5-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1nnc(-c2cc(Cl)ccc2F)o1.
What is the InChIKey of N-[[5-(5-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is RWBLSFLRYNHIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3O/c1-13(2,3)16-7-11-17-18-12(19-11)9-6-8(14)4-5-10(9)15/h4-6,16H,7H2,1-3H3.
What are the key properties of N-[[5-(5-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine?
N-[[5-(5-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 283.73 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(5-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62137964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).