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

C11H15N3O2 — CID 156522893

IUPAC5-[1-(5-propan-2-yl-1,3-oxazol-2-yl)propan-2-yl]-1,2,4-oxadiazole
SMILESCC(C)c1cnc(CC(C)c2ncno2)o1
InChIInChI=1S/C11H15N3O2/c1-7(2)9-5-12-10(15-9)4-8(3)11-13-6-14-16-11/h5-8H,4H2,1-3H3
InChIKeyPCZDKUKYGJRATB-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.53
Rot. Bonds4

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

5-[1-(5-propan-2-yl-1,3-oxazol-2-yl)propan-2-yl]-1,2,4-oxadiazole (PubChem CID 156522893) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 5-[1-(5-propan-2-yl-1,3-oxazol-2-yl)propan-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(5-propan-2-yl-1,3-oxazol-2-yl)propan-2-yl]-1,2,4-oxadiazole
PubChem CID156522893
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name5-[1-(5-propan-2-yl-1,3-oxazol-2-yl)propan-2-yl]-1,2,4-oxadiazole
SMILESCC(C)c1cnc(CC(C)c2ncno2)o1
InChIInChI=1S/C11H15N3O2/c1-7(2)9-5-12-10(15-9)4-8(3)11-13-6-14-16-11/h5-8H,4H2,1-3H3
InChIKeyPCZDKUKYGJRATB-UHFFFAOYSA-N
XLogP2.53
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(5-propan-2-yl-1,3-oxazol-2-yl)propan-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(5-propan-2-yl-1,3-oxazol-2-yl)propan-2-yl]-1,2,4-oxadiazole (CID 156522893) is 5-[1-(5-propan-2-yl-1,3-oxazol-2-yl)propan-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(5-propan-2-yl-1,3-oxazol-2-yl)propan-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(5-propan-2-yl-1,3-oxazol-2-yl)propan-2-yl]-1,2,4-oxadiazole is CC(C)c1cnc(CC(C)c2ncno2)o1.
What is the InChIKey of 5-[1-(5-propan-2-yl-1,3-oxazol-2-yl)propan-2-yl]-1,2,4-oxadiazole?
The InChIKey is PCZDKUKYGJRATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7(2)9-5-12-10(15-9)4-8(3)11-13-6-14-16-11/h5-8H,4H2,1-3H3.
What are the key properties of 5-[1-(5-propan-2-yl-1,3-oxazol-2-yl)propan-2-yl]-1,2,4-oxadiazole?
5-[1-(5-propan-2-yl-1,3-oxazol-2-yl)propan-2-yl]-1,2,4-oxadiazole has a molecular weight of 221.26 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(5-propan-2-yl-1,3-oxazol-2-yl)propan-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 156522893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).