5-tert-butyl-N-[(2S)-2-pyridin-3-yloxypropyl]-1,3,4-oxadiazol-2-amine

C14H20N4O2 — CID 97155547

IUPAC5-tert-butyl-N-[(2S)-2-pyridin-3-yloxypropyl]-1,3,4-oxadiazol-2-amine
SMILESC[C@@H](CNc1nnc(C(C)(C)C)o1)Oc1cccnc1
InChIInChI=1S/C14H20N4O2/c1-10(19-11-6-5-7-15-9-11)8-16-13-18-17-12(20-13)14(2,3)4/h5-7,9-10H,8H2,1-4H3,(H,16,18)/t10-/m0/s1
InChIKeyVHSAOMAVSPGLOL-JTQLQIEISA-N
MW276.34 g/mol
LogP2.64
Rot. Bonds5

About 5-tert-butyl-N-[(2S)-2-pyridin-3-yloxypropyl]-1,3,4-oxadiazol-2-amine

5-tert-butyl-N-[(2S)-2-pyridin-3-yloxypropyl]-1,3,4-oxadiazol-2-amine (PubChem CID 97155547) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-tert-butyl-N-[(2S)-2-pyridin-3-yloxypropyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-tert-butyl-N-[(2S)-2-pyridin-3-yloxypropyl]-1,3,4-oxadiazol-2-amine
PubChem CID97155547
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name5-tert-butyl-N-[(2S)-2-pyridin-3-yloxypropyl]-1,3,4-oxadiazol-2-amine
SMILESC[C@@H](CNc1nnc(C(C)(C)C)o1)Oc1cccnc1
InChIInChI=1S/C14H20N4O2/c1-10(19-11-6-5-7-15-9-11)8-16-13-18-17-12(20-13)14(2,3)4/h5-7,9-10H,8H2,1-4H3,(H,16,18)/t10-/m0/s1
InChIKeyVHSAOMAVSPGLOL-JTQLQIEISA-N
XLogP2.64
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-tert-butyl-N-[(2S)-2-pyridin-3-yloxypropyl]-1,3,4-oxadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[(2S)-2-pyridin-3-yloxypropyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-tert-butyl-N-[(2S)-2-pyridin-3-yloxypropyl]-1,3,4-oxadiazol-2-amine (CID 97155547) is 5-tert-butyl-N-[(2S)-2-pyridin-3-yloxypropyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-tert-butyl-N-[(2S)-2-pyridin-3-yloxypropyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-tert-butyl-N-[(2S)-2-pyridin-3-yloxypropyl]-1,3,4-oxadiazol-2-amine is C[C@@H](CNc1nnc(C(C)(C)C)o1)Oc1cccnc1.
What is the InChIKey of 5-tert-butyl-N-[(2S)-2-pyridin-3-yloxypropyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is VHSAOMAVSPGLOL-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20N4O2/c1-10(19-11-6-5-7-15-9-11)8-16-13-18-17-12(20-13)14(2,3)4/h5-7,9-10H,8H2,1-4H3,(H,16,18)/t10-/m0/s1.
What are the key properties of 5-tert-butyl-N-[(2S)-2-pyridin-3-yloxypropyl]-1,3,4-oxadiazol-2-amine?
5-tert-butyl-N-[(2S)-2-pyridin-3-yloxypropyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 276.34 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[(2S)-2-pyridin-3-yloxypropyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 97155547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).