3-tert-butyl-5-[(1S)-1-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethyl]-1,2,4-oxadiazole

C16H18N4O3 — CID 95631705

IUPAC3-tert-butyl-5-[(1S)-1-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethyl]-1,2,4-oxadiazole
SMILESC[C@H](Oc1ccc(-c2nnco2)cc1)c1nc(C(C)(C)C)no1
InChIInChI=1S/C16H18N4O3/c1-10(13-18-15(20-23-13)16(2,3)4)22-12-7-5-11(6-8-12)14-19-17-9-21-14/h5-10H,1-4H3/t10-/m0/s1
InChIKeyCUVDIGGJCNBFMF-JTQLQIEISA-N
MW314.35 g/mol
LogP3.56
Rot. Bonds4

About 3-tert-butyl-5-[(1S)-1-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethyl]-1,2,4-oxadiazole

3-tert-butyl-5-[(1S)-1-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethyl]-1,2,4-oxadiazole (PubChem CID 95631705) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 3-tert-butyl-5-[(1S)-1-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-tert-butyl-5-[(1S)-1-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethyl]-1,2,4-oxadiazole
PubChem CID95631705
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name3-tert-butyl-5-[(1S)-1-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethyl]-1,2,4-oxadiazole
SMILESC[C@H](Oc1ccc(-c2nnco2)cc1)c1nc(C(C)(C)C)no1
InChIInChI=1S/C16H18N4O3/c1-10(13-18-15(20-23-13)16(2,3)4)22-12-7-5-11(6-8-12)14-19-17-9-21-14/h5-10H,1-4H3/t10-/m0/s1
InChIKeyCUVDIGGJCNBFMF-JTQLQIEISA-N
XLogP3.56
TPSA87.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-tert-butyl-5-[(1S)-1-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethyl]-1,2,4-oxadiazole 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 3-tert-butyl-5-[(1S)-1-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-tert-butyl-5-[(1S)-1-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethyl]-1,2,4-oxadiazole (CID 95631705) is 3-tert-butyl-5-[(1S)-1-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-tert-butyl-5-[(1S)-1-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-tert-butyl-5-[(1S)-1-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethyl]-1,2,4-oxadiazole is C[C@H](Oc1ccc(-c2nnco2)cc1)c1nc(C(C)(C)C)no1.
What is the InChIKey of 3-tert-butyl-5-[(1S)-1-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethyl]-1,2,4-oxadiazole?
The InChIKey is CUVDIGGJCNBFMF-JTQLQIEISA-N. The full InChI is InChI=1S/C16H18N4O3/c1-10(13-18-15(20-23-13)16(2,3)4)22-12-7-5-11(6-8-12)14-19-17-9-21-14/h5-10H,1-4H3/t10-/m0/s1.
What are the key properties of 3-tert-butyl-5-[(1S)-1-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethyl]-1,2,4-oxadiazole?
3-tert-butyl-5-[(1S)-1-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethyl]-1,2,4-oxadiazole has a molecular weight of 314.35 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-[(1S)-1-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 95631705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).