4-butyl-5-ethyl-3-methyl-1,3-oxazolidin-2-one

C10H19NO2 — CID 135303220

IUPAC4-butyl-5-ethyl-3-methyl-1,3-oxazolidin-2-one
SMILESCCCCC1C(CC)OC(=O)N1C
InChIInChI=1S/C10H19NO2/c1-4-6-7-8-9(5-2)13-10(12)11(8)3/h8-9H,4-7H2,1-3H3
InChIKeyCKJFAVBNRVZIHU-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.41
Rot. Bonds4

About 4-butyl-5-ethyl-3-methyl-1,3-oxazolidin-2-one

4-butyl-5-ethyl-3-methyl-1,3-oxazolidin-2-one (PubChem CID 135303220) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-butyl-5-ethyl-3-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-butyl-5-ethyl-3-methyl-1,3-oxazolidin-2-one
PubChem CID135303220
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name4-butyl-5-ethyl-3-methyl-1,3-oxazolidin-2-one
SMILESCCCCC1C(CC)OC(=O)N1C
InChIInChI=1S/C10H19NO2/c1-4-6-7-8-9(5-2)13-10(12)11(8)3/h8-9H,4-7H2,1-3H3
InChIKeyCKJFAVBNRVZIHU-UHFFFAOYSA-N
XLogP2.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-5-ethyl-3-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-butyl-5-ethyl-3-methyl-1,3-oxazolidin-2-one (CID 135303220) is 4-butyl-5-ethyl-3-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-butyl-5-ethyl-3-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-butyl-5-ethyl-3-methyl-1,3-oxazolidin-2-one is CCCCC1C(CC)OC(=O)N1C.
What is the InChIKey of 4-butyl-5-ethyl-3-methyl-1,3-oxazolidin-2-one?
The InChIKey is CKJFAVBNRVZIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-6-7-8-9(5-2)13-10(12)11(8)3/h8-9H,4-7H2,1-3H3.
What are the key properties of 4-butyl-5-ethyl-3-methyl-1,3-oxazolidin-2-one?
4-butyl-5-ethyl-3-methyl-1,3-oxazolidin-2-one has a molecular weight of 185.27 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-5-ethyl-3-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 135303220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).