3-(6-methylazepan-4-yl)-5-(1-methylcyclodecyl)-1,3-oxazolidin-2-one

C21H38N2O2 — CID 138719971

IUPAC3-(6-methylazepan-4-yl)-5-(1-methylcyclodecyl)-1,3-oxazolidin-2-one
SMILESCC1CNCCC(N2CC(C3(C)CCCCCCCCC3)OC2=O)C1
InChIInChI=1S/C21H38N2O2/c1-17-14-18(10-13-22-15-17)23-16-19(25-20(23)24)21(2)11-8-6-4-3-5-7-9-12-21/h17-19,22H,3-16H2,1-2H3
InChIKeyYXNOSYVBOXVOES-UHFFFAOYSA-N
MW350.55 g/mol
LogP4.73
Rot. Bonds2

About 3-(6-methylazepan-4-yl)-5-(1-methylcyclodecyl)-1,3-oxazolidin-2-one

3-(6-methylazepan-4-yl)-5-(1-methylcyclodecyl)-1,3-oxazolidin-2-one (PubChem CID 138719971) has the molecular formula C21H38N2O2 and a molecular weight of 350.55 g/mol. Its IUPAC name is 3-(6-methylazepan-4-yl)-5-(1-methylcyclodecyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(6-methylazepan-4-yl)-5-(1-methylcyclodecyl)-1,3-oxazolidin-2-one
PubChem CID138719971
Molecular FormulaC21H38N2O2
Molecular Weight350.55 g/mol
Exact Mass350.29
IUPAC Name3-(6-methylazepan-4-yl)-5-(1-methylcyclodecyl)-1,3-oxazolidin-2-one
SMILESCC1CNCCC(N2CC(C3(C)CCCCCCCCC3)OC2=O)C1
InChIInChI=1S/C21H38N2O2/c1-17-14-18(10-13-22-15-17)23-16-19(25-20(23)24)21(2)11-8-6-4-3-5-7-9-12-21/h17-19,22H,3-16H2,1-2H3
InChIKeyYXNOSYVBOXVOES-UHFFFAOYSA-N
XLogP4.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.55
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methylazepan-4-yl)-5-(1-methylcyclodecyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(6-methylazepan-4-yl)-5-(1-methylcyclodecyl)-1,3-oxazolidin-2-one (CID 138719971) is 3-(6-methylazepan-4-yl)-5-(1-methylcyclodecyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(6-methylazepan-4-yl)-5-(1-methylcyclodecyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(6-methylazepan-4-yl)-5-(1-methylcyclodecyl)-1,3-oxazolidin-2-one is CC1CNCCC(N2CC(C3(C)CCCCCCCCC3)OC2=O)C1.
What is the InChIKey of 3-(6-methylazepan-4-yl)-5-(1-methylcyclodecyl)-1,3-oxazolidin-2-one?
The InChIKey is YXNOSYVBOXVOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N2O2/c1-17-14-18(10-13-22-15-17)23-16-19(25-20(23)24)21(2)11-8-6-4-3-5-7-9-12-21/h17-19,22H,3-16H2,1-2H3.
What are the key properties of 3-(6-methylazepan-4-yl)-5-(1-methylcyclodecyl)-1,3-oxazolidin-2-one?
3-(6-methylazepan-4-yl)-5-(1-methylcyclodecyl)-1,3-oxazolidin-2-one has a molecular weight of 350.55 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methylazepan-4-yl)-5-(1-methylcyclodecyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 138719971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).