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

C11H21NO2 — CID 138500995

IUPAC4-butyl-3-methyl-5-propyl-1,3-oxazolidin-2-one
SMILESCCCCC1C(CCC)OC(=O)N1C
InChIInChI=1S/C11H21NO2/c1-4-6-8-9-10(7-5-2)14-11(13)12(9)3/h9-10H,4-8H2,1-3H3
InChIKeyVKLXRJINWQKANT-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.80
Rot. Bonds5

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

4-butyl-3-methyl-5-propyl-1,3-oxazolidin-2-one (PubChem CID 138500995) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 4-butyl-3-methyl-5-propyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-butyl-3-methyl-5-propyl-1,3-oxazolidin-2-one
PubChem CID138500995
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name4-butyl-3-methyl-5-propyl-1,3-oxazolidin-2-one
SMILESCCCCC1C(CCC)OC(=O)N1C
InChIInChI=1S/C11H21NO2/c1-4-6-8-9-10(7-5-2)14-11(13)12(9)3/h9-10H,4-8H2,1-3H3
InChIKeyVKLXRJINWQKANT-UHFFFAOYSA-N
XLogP2.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-3-methyl-5-propyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-butyl-3-methyl-5-propyl-1,3-oxazolidin-2-one (CID 138500995) is 4-butyl-3-methyl-5-propyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-butyl-3-methyl-5-propyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-butyl-3-methyl-5-propyl-1,3-oxazolidin-2-one is CCCCC1C(CCC)OC(=O)N1C.
What is the InChIKey of 4-butyl-3-methyl-5-propyl-1,3-oxazolidin-2-one?
The InChIKey is VKLXRJINWQKANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-6-8-9-10(7-5-2)14-11(13)12(9)3/h9-10H,4-8H2,1-3H3.
What are the key properties of 4-butyl-3-methyl-5-propyl-1,3-oxazolidin-2-one?
4-butyl-3-methyl-5-propyl-1,3-oxazolidin-2-one has a molecular weight of 199.29 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-3-methyl-5-propyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 138500995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).