3-pentyl-4-propan-2-yl-1,3-oxazolidin-2-one

C11H21NO2 — CID 67838387

IUPAC3-pentyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCCCCCN1C(=O)OCC1C(C)C
InChIInChI=1S/C11H21NO2/c1-4-5-6-7-12-10(9(2)3)8-14-11(12)13/h9-10H,4-8H2,1-3H3
InChIKeyDLCVXOFBQHQKRE-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.65
Rot. Bonds5

About 3-pentyl-4-propan-2-yl-1,3-oxazolidin-2-one

3-pentyl-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 67838387) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-pentyl-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-pentyl-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID67838387
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-pentyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCCCCCN1C(=O)OCC1C(C)C
InChIInChI=1S/C11H21NO2/c1-4-5-6-7-12-10(9(2)3)8-14-11(12)13/h9-10H,4-8H2,1-3H3
InChIKeyDLCVXOFBQHQKRE-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-pentyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 3-pentyl-4-propan-2-yl-1,3-oxazolidin-2-one (CID 67838387) is 3-pentyl-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-pentyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-pentyl-4-propan-2-yl-1,3-oxazolidin-2-one is CCCCCN1C(=O)OCC1C(C)C.
What is the InChIKey of 3-pentyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is DLCVXOFBQHQKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-5-6-7-12-10(9(2)3)8-14-11(12)13/h9-10H,4-8H2,1-3H3.
What are the key properties of 3-pentyl-4-propan-2-yl-1,3-oxazolidin-2-one?
3-pentyl-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 199.29 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentyl-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 67838387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).