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

C12H23N3O — CID 115927669

IUPACN-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pentan-2-amine
SMILESCCCC(C)NCc1noc(C(C)(C)C)n1
InChIInChI=1S/C12H23N3O/c1-6-7-9(2)13-8-10-14-11(16-15-10)12(3,4)5/h9,13H,6-8H2,1-5H3
InChIKeyYHFSPESSAVRILT-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.65
Rot. Bonds5

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

N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pentan-2-amine (PubChem CID 115927669) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pentan-2-amine.

Molecular Properties

Compound NameN-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pentan-2-amine
PubChem CID115927669
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pentan-2-amine
SMILESCCCC(C)NCc1noc(C(C)(C)C)n1
InChIInChI=1S/C12H23N3O/c1-6-7-9(2)13-8-10-14-11(16-15-10)12(3,4)5/h9,13H,6-8H2,1-5H3
InChIKeyYHFSPESSAVRILT-UHFFFAOYSA-N
XLogP2.65
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
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]pentan-2-amine?
The IUPAC name of N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pentan-2-amine (CID 115927669) is N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pentan-2-amine.
What is the SMILES notation for N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pentan-2-amine?
The canonical SMILES for N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pentan-2-amine is CCCC(C)NCc1noc(C(C)(C)C)n1.
What is the InChIKey of N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pentan-2-amine?
The InChIKey is YHFSPESSAVRILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-6-7-9(2)13-8-10-14-11(16-15-10)12(3,4)5/h9,13H,6-8H2,1-5H3.
What are the key properties of N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pentan-2-amine?
N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pentan-2-amine has a molecular weight of 225.34 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 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]pentan-2-amine is sourced from PubChem (CID 115927669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).