N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-propan-2-ylpropan-2-amine

C13H25N3O — CID 20687208

IUPACN-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(Cc1noc(C(C)(C)C)n1)C(C)C
InChIInChI=1S/C13H25N3O/c1-9(2)16(10(3)4)8-11-14-12(17-15-11)13(5,6)7/h9-10H,8H2,1-7H3
InChIKeyFDQHXMAKDVTCOO-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.99
Rot. Bonds4

About N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-propan-2-ylpropan-2-amine

N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-propan-2-ylpropan-2-amine (PubChem CID 20687208) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-propan-2-ylpropan-2-amine
PubChem CID20687208
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(Cc1noc(C(C)(C)C)n1)C(C)C
InChIInChI=1S/C13H25N3O/c1-9(2)16(10(3)4)8-11-14-12(17-15-11)13(5,6)7/h9-10H,8H2,1-7H3
InChIKeyFDQHXMAKDVTCOO-UHFFFAOYSA-N
XLogP2.99
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-propan-2-ylpropan-2-amine (CID 20687208) is N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-propan-2-ylpropan-2-amine is CC(C)N(Cc1noc(C(C)(C)C)n1)C(C)C.
What is the InChIKey of N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is FDQHXMAKDVTCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-9(2)16(10(3)4)8-11-14-12(17-15-11)13(5,6)7/h9-10H,8H2,1-7H3.
What are the key properties of N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-propan-2-ylpropan-2-amine?
N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 239.36 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 20687208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).