(4S)-3-pentyl-4-propan-2-yl-1,3-oxazolidin-2-one

C11H21NO2 — CID 67838388

IUPAC(4S)-3-pentyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCCCCCN1C(=O)OC[C@@H]1C(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/t10-/m1/s1
InChIKeyDLCVXOFBQHQKRE-SNVBAGLBSA-N
MW199.29 g/mol
LogP2.65
Rot. Bonds5

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

(4S)-3-pentyl-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 67838388) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (4S)-3-pentyl-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-pentyl-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID67838388
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(4S)-3-pentyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCCCCCN1C(=O)OC[C@@H]1C(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/t10-/m1/s1
InChIKeyDLCVXOFBQHQKRE-SNVBAGLBSA-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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Related Compounds

4-Isopropyl-3-propionyl-2-oxazolidinone
CID 190974
US10214537, Example 158
CID 57765494
US10214537, Example 163
CID 132220338
(4R)-3-Propanoyl-4-(propan-2-yl)-1,3-oxazolidin-2-one
CID 643512
(S)-(+)-4-Isopropyl-3-propionyl-2-oxazolidinone
CID 853160
(4S)-3-hept-1-ynyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11481480
(4S)-3-Butanoyl-4-(propan-2-yl)-1,3-oxazolidin-2-one
CID 10330387
(S)-4-Isopropyl-3-(3-methylbutanoyl)oxazolidin-2-one
CID 10856824
N-acetyl-(4s)-isopropyl 2-oxazolidinone
CID 11126719
(4S)-3-methyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11355536
(4S)-3-hexanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 14939235
(4R)-3-methyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 58484579

Frequently Asked Questions

What is the IUPAC name of (4S)-3-pentyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-pentyl-4-propan-2-yl-1,3-oxazolidin-2-one (CID 67838388) is (4S)-3-pentyl-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-pentyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-pentyl-4-propan-2-yl-1,3-oxazolidin-2-one is CCCCCN1C(=O)OC[C@@H]1C(C)C.
What is the InChIKey of (4S)-3-pentyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is DLCVXOFBQHQKRE-SNVBAGLBSA-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/t10-/m1/s1.
What are the key properties of (4S)-3-pentyl-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-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 (4S)-3-pentyl-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 67838388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).