6,7-dimethyl-2,3,4-tri(propan-2-yl)-1,4-oxazepin-5-one

C16H27NO2 — CID 170037521

IUPAC6,7-dimethyl-2,3,4-tri(propan-2-yl)-1,4-oxazepin-5-one
SMILESCC1=C(C)C(=O)N(C(C)C)C(C(C)C)=C(C(C)C)O1
InChIInChI=1S/C16H27NO2/c1-9(2)14-15(10(3)4)19-13(8)12(7)16(18)17(14)11(5)6/h9-11H,1-8H3
InChIKeyWOSKMXFCIQETPM-UHFFFAOYSA-N
MW265.40 g/mol
LogP4.07
Rot. Bonds3

About 6,7-dimethyl-2,3,4-tri(propan-2-yl)-1,4-oxazepin-5-one

6,7-dimethyl-2,3,4-tri(propan-2-yl)-1,4-oxazepin-5-one (PubChem CID 170037521) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 6,7-dimethyl-2,3,4-tri(propan-2-yl)-1,4-oxazepin-5-one.

Molecular Properties

Compound Name6,7-dimethyl-2,3,4-tri(propan-2-yl)-1,4-oxazepin-5-one
PubChem CID170037521
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name6,7-dimethyl-2,3,4-tri(propan-2-yl)-1,4-oxazepin-5-one
SMILESCC1=C(C)C(=O)N(C(C)C)C(C(C)C)=C(C(C)C)O1
InChIInChI=1S/C16H27NO2/c1-9(2)14-15(10(3)4)19-13(8)12(7)16(18)17(14)11(5)6/h9-11H,1-8H3
InChIKeyWOSKMXFCIQETPM-UHFFFAOYSA-N
XLogP4.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-2,3,4-tri(propan-2-yl)-1,4-oxazepin-5-one?
The IUPAC name of 6,7-dimethyl-2,3,4-tri(propan-2-yl)-1,4-oxazepin-5-one (CID 170037521) is 6,7-dimethyl-2,3,4-tri(propan-2-yl)-1,4-oxazepin-5-one.
What is the SMILES notation for 6,7-dimethyl-2,3,4-tri(propan-2-yl)-1,4-oxazepin-5-one?
The canonical SMILES for 6,7-dimethyl-2,3,4-tri(propan-2-yl)-1,4-oxazepin-5-one is CC1=C(C)C(=O)N(C(C)C)C(C(C)C)=C(C(C)C)O1.
What is the InChIKey of 6,7-dimethyl-2,3,4-tri(propan-2-yl)-1,4-oxazepin-5-one?
The InChIKey is WOSKMXFCIQETPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-9(2)14-15(10(3)4)19-13(8)12(7)16(18)17(14)11(5)6/h9-11H,1-8H3.
What are the key properties of 6,7-dimethyl-2,3,4-tri(propan-2-yl)-1,4-oxazepin-5-one?
6,7-dimethyl-2,3,4-tri(propan-2-yl)-1,4-oxazepin-5-one has a molecular weight of 265.40 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-2,3,4-tri(propan-2-yl)-1,4-oxazepin-5-one is sourced from PubChem (CID 170037521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).