5-(2,2-dimethylcyclopentyl)-3-(2-propyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole

C15H21N3O2 — CID 139002646

IUPAC5-(2,2-dimethylcyclopentyl)-3-(2-propyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole
SMILESCCCc1nc(-c2noc(C3CCCC3(C)C)n2)co1
InChIInChI=1S/C15H21N3O2/c1-4-6-12-16-11(9-19-12)13-17-14(20-18-13)10-7-5-8-15(10,2)3/h9-10H,4-8H2,1-3H3
InChIKeyPKJAFKKWBJIRBQ-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.97
Rot. Bonds4

About 5-(2,2-dimethylcyclopentyl)-3-(2-propyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole

5-(2,2-dimethylcyclopentyl)-3-(2-propyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole (PubChem CID 139002646) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 5-(2,2-dimethylcyclopentyl)-3-(2-propyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,2-dimethylcyclopentyl)-3-(2-propyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole
PubChem CID139002646
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name5-(2,2-dimethylcyclopentyl)-3-(2-propyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole
SMILESCCCc1nc(-c2noc(C3CCCC3(C)C)n2)co1
InChIInChI=1S/C15H21N3O2/c1-4-6-12-16-11(9-19-12)13-17-14(20-18-13)10-7-5-8-15(10,2)3/h9-10H,4-8H2,1-3H3
InChIKeyPKJAFKKWBJIRBQ-UHFFFAOYSA-N
XLogP3.97
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylcyclopentyl)-3-(2-propyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2,2-dimethylcyclopentyl)-3-(2-propyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole (CID 139002646) is 5-(2,2-dimethylcyclopentyl)-3-(2-propyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,2-dimethylcyclopentyl)-3-(2-propyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,2-dimethylcyclopentyl)-3-(2-propyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole is CCCc1nc(-c2noc(C3CCCC3(C)C)n2)co1.
What is the InChIKey of 5-(2,2-dimethylcyclopentyl)-3-(2-propyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole?
The InChIKey is PKJAFKKWBJIRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-6-12-16-11(9-19-12)13-17-14(20-18-13)10-7-5-8-15(10,2)3/h9-10H,4-8H2,1-3H3.
What are the key properties of 5-(2,2-dimethylcyclopentyl)-3-(2-propyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole?
5-(2,2-dimethylcyclopentyl)-3-(2-propyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole has a molecular weight of 275.35 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylcyclopentyl)-3-(2-propyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 139002646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).