5-[2-(1,2,4-oxadiazol-5-yl)propyl]-3-[1-(5-propan-2-yl-1,2-oxazol-3-yl)propan-2-yl]-1,2,4-oxadiazole

C16H21N5O3 — CID 155170496

IUPAC5-[2-(1,2,4-oxadiazol-5-yl)propyl]-3-[1-(5-propan-2-yl-1,2-oxazol-3-yl)propan-2-yl]-1,2,4-oxadiazole
SMILESCC(C)c1cc(CC(C)c2noc(CC(C)c3ncno3)n2)no1
InChIInChI=1S/C16H21N5O3/c1-9(2)13-7-12(20-22-13)5-10(3)15-19-14(23-21-15)6-11(4)16-17-8-18-24-16/h7-11H,5-6H2,1-4H3
InChIKeyMVGPMUDQHWSCRU-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.26
Rot. Bonds7

About 5-[2-(1,2,4-oxadiazol-5-yl)propyl]-3-[1-(5-propan-2-yl-1,2-oxazol-3-yl)propan-2-yl]-1,2,4-oxadiazole

5-[2-(1,2,4-oxadiazol-5-yl)propyl]-3-[1-(5-propan-2-yl-1,2-oxazol-3-yl)propan-2-yl]-1,2,4-oxadiazole (PubChem CID 155170496) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 5-[2-(1,2,4-oxadiazol-5-yl)propyl]-3-[1-(5-propan-2-yl-1,2-oxazol-3-yl)propan-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-(1,2,4-oxadiazol-5-yl)propyl]-3-[1-(5-propan-2-yl-1,2-oxazol-3-yl)propan-2-yl]-1,2,4-oxadiazole
PubChem CID155170496
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name5-[2-(1,2,4-oxadiazol-5-yl)propyl]-3-[1-(5-propan-2-yl-1,2-oxazol-3-yl)propan-2-yl]-1,2,4-oxadiazole
SMILESCC(C)c1cc(CC(C)c2noc(CC(C)c3ncno3)n2)no1
InChIInChI=1S/C16H21N5O3/c1-9(2)13-7-12(20-22-13)5-10(3)15-19-14(23-21-15)6-11(4)16-17-8-18-24-16/h7-11H,5-6H2,1-4H3
InChIKeyMVGPMUDQHWSCRU-UHFFFAOYSA-N
XLogP3.26
TPSA103.87 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[2-(1,2,4-oxadiazol-5-yl)propyl]-3-[1-(5-propan-2-yl-1,2-oxazol-3-yl)propan-2-yl]-1,2,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1,2,4-oxadiazol-5-yl)propyl]-3-[1-(5-propan-2-yl-1,2-oxazol-3-yl)propan-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-[2-(1,2,4-oxadiazol-5-yl)propyl]-3-[1-(5-propan-2-yl-1,2-oxazol-3-yl)propan-2-yl]-1,2,4-oxadiazole (CID 155170496) is 5-[2-(1,2,4-oxadiazol-5-yl)propyl]-3-[1-(5-propan-2-yl-1,2-oxazol-3-yl)propan-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-(1,2,4-oxadiazol-5-yl)propyl]-3-[1-(5-propan-2-yl-1,2-oxazol-3-yl)propan-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-(1,2,4-oxadiazol-5-yl)propyl]-3-[1-(5-propan-2-yl-1,2-oxazol-3-yl)propan-2-yl]-1,2,4-oxadiazole is CC(C)c1cc(CC(C)c2noc(CC(C)c3ncno3)n2)no1.
What is the InChIKey of 5-[2-(1,2,4-oxadiazol-5-yl)propyl]-3-[1-(5-propan-2-yl-1,2-oxazol-3-yl)propan-2-yl]-1,2,4-oxadiazole?
The InChIKey is MVGPMUDQHWSCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-9(2)13-7-12(20-22-13)5-10(3)15-19-14(23-21-15)6-11(4)16-17-8-18-24-16/h7-11H,5-6H2,1-4H3.
What are the key properties of 5-[2-(1,2,4-oxadiazol-5-yl)propyl]-3-[1-(5-propan-2-yl-1,2-oxazol-3-yl)propan-2-yl]-1,2,4-oxadiazole?
5-[2-(1,2,4-oxadiazol-5-yl)propyl]-3-[1-(5-propan-2-yl-1,2-oxazol-3-yl)propan-2-yl]-1,2,4-oxadiazole has a molecular weight of 331.38 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1,2,4-oxadiazol-5-yl)propyl]-3-[1-(5-propan-2-yl-1,2-oxazol-3-yl)propan-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 155170496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).