4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]-1,2,3,5-oxatriazole

C9H13N5O2 — CID 155439556

IUPAC4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]-1,2,3,5-oxatriazole
SMILESCC(C)c1noc(CC(C)c2nnon2)n1
InChIInChI=1S/C9H13N5O2/c1-5(2)8-10-7(15-12-8)4-6(3)9-11-14-16-13-9/h5-6H,4H2,1-3H3
InChIKeyLRYKRDGHTRKJJZ-UHFFFAOYSA-N
MW223.24 g/mol
LogP1.32
Rot. Bonds4

About 4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]-1,2,3,5-oxatriazole

4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]-1,2,3,5-oxatriazole (PubChem CID 155439556) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is 4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]-1,2,3,5-oxatriazole.

Molecular Properties

Compound Name4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]-1,2,3,5-oxatriazole
PubChem CID155439556
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC Name4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]-1,2,3,5-oxatriazole
SMILESCC(C)c1noc(CC(C)c2nnon2)n1
InChIInChI=1S/C9H13N5O2/c1-5(2)8-10-7(15-12-8)4-6(3)9-11-14-16-13-9/h5-6H,4H2,1-3H3
InChIKeyLRYKRDGHTRKJJZ-UHFFFAOYSA-N
XLogP1.32
TPSA90.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]-1,2,3,5-oxatriazole?
The IUPAC name of 4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]-1,2,3,5-oxatriazole (CID 155439556) is 4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]-1,2,3,5-oxatriazole.
What is the SMILES notation for 4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]-1,2,3,5-oxatriazole?
The canonical SMILES for 4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]-1,2,3,5-oxatriazole is CC(C)c1noc(CC(C)c2nnon2)n1.
What is the InChIKey of 4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]-1,2,3,5-oxatriazole?
The InChIKey is LRYKRDGHTRKJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c1-5(2)8-10-7(15-12-8)4-6(3)9-11-14-16-13-9/h5-6H,4H2,1-3H3.
What are the key properties of 4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]-1,2,3,5-oxatriazole?
4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]-1,2,3,5-oxatriazole has a molecular weight of 223.24 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]-1,2,3,5-oxatriazole is sourced from PubChem (CID 155439556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).