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

C13H15F2N3O — CID 62138147

IUPACN-[[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1nnc(-c2cc(F)cc(F)c2)o1
InChIInChI=1S/C13H15F2N3O/c1-13(2,3)16-7-11-17-18-12(19-11)8-4-9(14)6-10(15)5-8/h4-6,16H,7H2,1-3H3
InChIKeyRDWIOFCNKVHDHZ-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.90
Rot. Bonds3

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

N-[[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62138147) has the molecular formula C13H15F2N3O and a molecular weight of 267.28 g/mol. Its IUPAC name is N-[[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID62138147
Molecular FormulaC13H15F2N3O
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC NameN-[[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1nnc(-c2cc(F)cc(F)c2)o1
InChIInChI=1S/C13H15F2N3O/c1-13(2,3)16-7-11-17-18-12(19-11)8-4-9(14)6-10(15)5-8/h4-6,16H,7H2,1-3H3
InChIKeyRDWIOFCNKVHDHZ-UHFFFAOYSA-N
XLogP2.90
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine (CID 62138147) is N-[[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1nnc(-c2cc(F)cc(F)c2)o1.
What is the InChIKey of N-[[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is RDWIOFCNKVHDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O/c1-13(2,3)16-7-11-17-18-12(19-11)8-4-9(14)6-10(15)5-8/h4-6,16H,7H2,1-3H3.
What are the key properties of N-[[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine?
N-[[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 267.28 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62138147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).