2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-1-(5-methyl-2-propan-2-ylazepan-1-yl)ethanone

C16H27N3O3 — CID 102557466

IUPAC2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-1-(5-methyl-2-propan-2-ylazepan-1-yl)ethanone
SMILESCc1noc(COCC(=O)N2CCC(C)CCC2C(C)C)n1
InChIInChI=1S/C16H27N3O3/c1-11(2)14-6-5-12(3)7-8-19(14)16(20)10-21-9-15-17-13(4)18-22-15/h11-12,14H,5-10H2,1-4H3
InChIKeyMVKKAMMOSXAACJ-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.57
Rot. Bonds5

About 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-1-(5-methyl-2-propan-2-ylazepan-1-yl)ethanone

2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-1-(5-methyl-2-propan-2-ylazepan-1-yl)ethanone (PubChem CID 102557466) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-1-(5-methyl-2-propan-2-ylazepan-1-yl)ethanone.

Molecular Properties

Compound Name2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-1-(5-methyl-2-propan-2-ylazepan-1-yl)ethanone
PubChem CID102557466
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-1-(5-methyl-2-propan-2-ylazepan-1-yl)ethanone
SMILESCc1noc(COCC(=O)N2CCC(C)CCC2C(C)C)n1
InChIInChI=1S/C16H27N3O3/c1-11(2)14-6-5-12(3)7-8-19(14)16(20)10-21-9-15-17-13(4)18-22-15/h11-12,14H,5-10H2,1-4H3
InChIKeyMVKKAMMOSXAACJ-UHFFFAOYSA-N
XLogP2.57
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-1-(5-methyl-2-propan-2-ylazepan-1-yl)ethanone?
The IUPAC name of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-1-(5-methyl-2-propan-2-ylazepan-1-yl)ethanone (CID 102557466) is 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-1-(5-methyl-2-propan-2-ylazepan-1-yl)ethanone.
What is the SMILES notation for 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-1-(5-methyl-2-propan-2-ylazepan-1-yl)ethanone?
The canonical SMILES for 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-1-(5-methyl-2-propan-2-ylazepan-1-yl)ethanone is Cc1noc(COCC(=O)N2CCC(C)CCC2C(C)C)n1.
What is the InChIKey of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-1-(5-methyl-2-propan-2-ylazepan-1-yl)ethanone?
The InChIKey is MVKKAMMOSXAACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-11(2)14-6-5-12(3)7-8-19(14)16(20)10-21-9-15-17-13(4)18-22-15/h11-12,14H,5-10H2,1-4H3.
What are the key properties of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-1-(5-methyl-2-propan-2-ylazepan-1-yl)ethanone?
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-1-(5-methyl-2-propan-2-ylazepan-1-yl)ethanone has a molecular weight of 309.41 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-1-(5-methyl-2-propan-2-ylazepan-1-yl)ethanone is sourced from PubChem (CID 102557466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).