[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-(2-propan-2-yloxolan-3-yl)methanone

C19H31N3O3 — CID 136536537

IUPAC[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-(2-propan-2-yloxolan-3-yl)methanone
SMILESCC(C)c1nc(C2CCCCCN2C(=O)C2CCOC2C(C)C)no1
InChIInChI=1S/C19H31N3O3/c1-12(2)16-14(9-11-24-16)19(23)22-10-7-5-6-8-15(22)17-20-18(13(3)4)25-21-17/h12-16H,5-11H2,1-4H3
InChIKeyVIGVKLSSSKNNPO-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.70
Rot. Bonds4

About [2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-(2-propan-2-yloxolan-3-yl)methanone

[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-(2-propan-2-yloxolan-3-yl)methanone (PubChem CID 136536537) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is [2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-(2-propan-2-yloxolan-3-yl)methanone.

Molecular Properties

Compound Name[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-(2-propan-2-yloxolan-3-yl)methanone
PubChem CID136536537
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-(2-propan-2-yloxolan-3-yl)methanone
SMILESCC(C)c1nc(C2CCCCCN2C(=O)C2CCOC2C(C)C)no1
InChIInChI=1S/C19H31N3O3/c1-12(2)16-14(9-11-24-16)19(23)22-10-7-5-6-8-15(22)17-20-18(13(3)4)25-21-17/h12-16H,5-11H2,1-4H3
InChIKeyVIGVKLSSSKNNPO-UHFFFAOYSA-N
XLogP3.70
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-(2-propan-2-yloxolan-3-yl)methanone?
The IUPAC name of [2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-(2-propan-2-yloxolan-3-yl)methanone (CID 136536537) is [2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-(2-propan-2-yloxolan-3-yl)methanone.
What is the SMILES notation for [2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-(2-propan-2-yloxolan-3-yl)methanone?
The canonical SMILES for [2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-(2-propan-2-yloxolan-3-yl)methanone is CC(C)c1nc(C2CCCCCN2C(=O)C2CCOC2C(C)C)no1.
What is the InChIKey of [2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-(2-propan-2-yloxolan-3-yl)methanone?
The InChIKey is VIGVKLSSSKNNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-12(2)16-14(9-11-24-16)19(23)22-10-7-5-6-8-15(22)17-20-18(13(3)4)25-21-17/h12-16H,5-11H2,1-4H3.
What are the key properties of [2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-(2-propan-2-yloxolan-3-yl)methanone?
[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-(2-propan-2-yloxolan-3-yl)methanone has a molecular weight of 349.48 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-(2-propan-2-yloxolan-3-yl)methanone is sourced from PubChem (CID 136536537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).