2-propan-2-yl-5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazole

C15H15N3O2 — CID 126801860

IUPAC2-propan-2-yl-5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazole
SMILESCC(C)c1nnc(COc2cccc3cccnc23)o1
InChIInChI=1S/C15H15N3O2/c1-10(2)15-18-17-13(20-15)9-19-12-7-3-5-11-6-4-8-16-14(11)12/h3-8,10H,9H2,1-2H3
InChIKeyNJVULZXKVSJXTK-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.32
Rot. Bonds4

About 2-propan-2-yl-5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazole

2-propan-2-yl-5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazole (PubChem CID 126801860) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-propan-2-yl-5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-propan-2-yl-5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazole
PubChem CID126801860
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name2-propan-2-yl-5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazole
SMILESCC(C)c1nnc(COc2cccc3cccnc23)o1
InChIInChI=1S/C15H15N3O2/c1-10(2)15-18-17-13(20-15)9-19-12-7-3-5-11-6-4-8-16-14(11)12/h3-8,10H,9H2,1-2H3
InChIKeyNJVULZXKVSJXTK-UHFFFAOYSA-N
XLogP3.32
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-propan-2-yl-5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazole (CID 126801860) is 2-propan-2-yl-5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-propan-2-yl-5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-propan-2-yl-5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazole is CC(C)c1nnc(COc2cccc3cccnc23)o1.
What is the InChIKey of 2-propan-2-yl-5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazole?
The InChIKey is NJVULZXKVSJXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-10(2)15-18-17-13(20-15)9-19-12-7-3-5-11-6-4-8-16-14(11)12/h3-8,10H,9H2,1-2H3.
What are the key properties of 2-propan-2-yl-5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazole?
2-propan-2-yl-5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazole has a molecular weight of 269.30 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 126801860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).