3-(3-methylpentan-3-yl)-1,3-oxazolidin-2-one

C9H17NO2 — CID 58910206

IUPAC3-(3-methylpentan-3-yl)-1,3-oxazolidin-2-one
SMILESCCC(C)(CC)N1CCOC1=O
InChIInChI=1S/C9H17NO2/c1-4-9(3,5-2)10-6-7-12-8(10)11/h4-7H2,1-3H3
InChIKeyZFKLYTFYESPLBS-UHFFFAOYSA-N
MW171.24 g/mol
LogP2.02
Rot. Bonds3

About 3-(3-methylpentan-3-yl)-1,3-oxazolidin-2-one

3-(3-methylpentan-3-yl)-1,3-oxazolidin-2-one (PubChem CID 58910206) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-(3-methylpentan-3-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(3-methylpentan-3-yl)-1,3-oxazolidin-2-one
PubChem CID58910206
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3-(3-methylpentan-3-yl)-1,3-oxazolidin-2-one
SMILESCCC(C)(CC)N1CCOC1=O
InChIInChI=1S/C9H17NO2/c1-4-9(3,5-2)10-6-7-12-8(10)11/h4-7H2,1-3H3
InChIKeyZFKLYTFYESPLBS-UHFFFAOYSA-N
XLogP2.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(3-methylpentan-3-yl)-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-aminopropan-2-yl)-1,3-oxazolidin-2-one
CID 145080919
3-(2,4,4-trimethylpentan-2-yl)-1,3-oxazolidin-2-one
CID 581720
3-(1,3-dihydroxy-2-methylpropan-2-yl)-1,3-oxazinan-2-one
CID 104550724
methyl N-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]carbamate
CID 110719419
N-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]butane-1-sulfonamide
CID 110719457
2,5-dimethyl-2-(2-oxo-1,3-oxazolidin-3-yl)hexanoic acid
CID 114990682
3-(2-hydroxy-2-methylpropyl)-1,3-oxazolidin-2-one
CID 83815643
1-(3-methylpentan-3-yl)pyrrolidine-2,4-dione
CID 106329126
2,2-dimethyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanal
CID 87093982
3-(10,10-dimethylundecyl)-1,3-oxazolidin-2-one
CID 151323535
4-fluoro-N-[2-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide
CID 110719461
3-but-1-ynyl-1,3-oxazolidin-2-one
CID 19909896

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpentan-3-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(3-methylpentan-3-yl)-1,3-oxazolidin-2-one (CID 58910206) is 3-(3-methylpentan-3-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(3-methylpentan-3-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(3-methylpentan-3-yl)-1,3-oxazolidin-2-one is CCC(C)(CC)N1CCOC1=O.
What is the InChIKey of 3-(3-methylpentan-3-yl)-1,3-oxazolidin-2-one?
The InChIKey is ZFKLYTFYESPLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-9(3,5-2)10-6-7-12-8(10)11/h4-7H2,1-3H3.
What are the key properties of 3-(3-methylpentan-3-yl)-1,3-oxazolidin-2-one?
3-(3-methylpentan-3-yl)-1,3-oxazolidin-2-one has a molecular weight of 171.24 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpentan-3-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 58910206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).