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

C12H21NO3 — CID 19037913

IUPAC3-(4-methylpentanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)CCC(=O)N1C(=O)OCC1C(C)C
InChIInChI=1S/C12H21NO3/c1-8(2)5-6-11(14)13-10(9(3)4)7-16-12(13)15/h8-10H,5-7H2,1-4H3
InChIKeyVGMWZVMXAAKMKC-UHFFFAOYSA-N
MW227.30 g/mol
LogP2.43
Rot. Bonds4

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

3-(4-methylpentanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 19037913) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 3-(4-methylpentanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(4-methylpentanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID19037913
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name3-(4-methylpentanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)CCC(=O)N1C(=O)OCC1C(C)C
InChIInChI=1S/C12H21NO3/c1-8(2)5-6-11(14)13-10(9(3)4)7-16-12(13)15/h8-10H,5-7H2,1-4H3
InChIKeyVGMWZVMXAAKMKC-UHFFFAOYSA-N
XLogP2.43
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpentanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 3-(4-methylpentanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one (CID 19037913) is 3-(4-methylpentanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(4-methylpentanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(4-methylpentanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)CCC(=O)N1C(=O)OCC1C(C)C.
What is the InChIKey of 3-(4-methylpentanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is VGMWZVMXAAKMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-8(2)5-6-11(14)13-10(9(3)4)7-16-12(13)15/h8-10H,5-7H2,1-4H3.
What are the key properties of 3-(4-methylpentanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
3-(4-methylpentanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 227.30 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpentanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 19037913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).