N-[3-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine

C13H23F2N3O2 — CID 103212000

IUPACN-[3-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCCc1nnc(CCOCC(F)F)o1
InChIInChI=1S/C13H23F2N3O2/c1-13(2,3)16-7-4-5-11-17-18-12(20-11)6-8-19-9-10(14)15/h10,16H,4-9H2,1-3H3
InChIKeyCOAMUMHCVSVVLQ-UHFFFAOYSA-N
MW291.34 g/mol
LogP2.21
Rot. Bonds9

About N-[3-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine

N-[3-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine (PubChem CID 103212000) has the molecular formula C13H23F2N3O2 and a molecular weight of 291.34 g/mol. Its IUPAC name is N-[3-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[3-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine
PubChem CID103212000
Molecular FormulaC13H23F2N3O2
Molecular Weight291.34 g/mol
Exact Mass291.18
IUPAC NameN-[3-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCCc1nnc(CCOCC(F)F)o1
InChIInChI=1S/C13H23F2N3O2/c1-13(2,3)16-7-4-5-11-17-18-12(20-11)6-8-19-9-10(14)15/h10,16H,4-9H2,1-3H3
InChIKeyCOAMUMHCVSVVLQ-UHFFFAOYSA-N
XLogP2.21
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 103211969
2-(chloromethyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazole
CID 103206274
2-methyl-N-[2-[5-(2-propoxyethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 62716856
2-bromo-5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazole
CID 103213879
methyl 5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazole-2-carboxylate
CID 103210021
N-[3-[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine
CID 103166380
N-[3-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine
CID 62164255
1-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine
CID 103212002
3-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
CID 62138165
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine
CID 103150869
N-[3-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-thiadiazol-2-yl]propyl]-2-methylpropan-1-amine
CID 103213324
2-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]propan-2-amine
CID 62163830

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[3-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine (CID 103212000) is N-[3-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[3-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[3-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine is CC(C)(C)NCCCc1nnc(CCOCC(F)F)o1.
What is the InChIKey of N-[3-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine?
The InChIKey is COAMUMHCVSVVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2N3O2/c1-13(2,3)16-7-4-5-11-17-18-12(20-11)6-8-19-9-10(14)15/h10,16H,4-9H2,1-3H3.
What are the key properties of N-[3-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine?
N-[3-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine has a molecular weight of 291.34 g/mol, XLogP of 2.21, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 103212000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).