4-butan-2-yl-3-methyl-1,3-oxazolidin-2-one

C8H15NO2 — CID 123549002

IUPAC4-butan-2-yl-3-methyl-1,3-oxazolidin-2-one
SMILESCCC(C)C1COC(=O)N1C
InChIInChI=1S/C8H15NO2/c1-4-6(2)7-5-11-8(10)9(7)3/h6-7H,4-5H2,1-3H3
InChIKeyWLPXDEBSYSXRIV-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.48
Rot. Bonds2

About 4-butan-2-yl-3-methyl-1,3-oxazolidin-2-one

4-butan-2-yl-3-methyl-1,3-oxazolidin-2-one (PubChem CID 123549002) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 4-butan-2-yl-3-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-butan-2-yl-3-methyl-1,3-oxazolidin-2-one
PubChem CID123549002
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name4-butan-2-yl-3-methyl-1,3-oxazolidin-2-one
SMILESCCC(C)C1COC(=O)N1C
InChIInChI=1S/C8H15NO2/c1-4-6(2)7-5-11-8(10)9(7)3/h6-7H,4-5H2,1-3H3
InChIKeyWLPXDEBSYSXRIV-UHFFFAOYSA-N
XLogP1.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

US10214537, Example 158
CID 57765494
(4S)-3-hept-1-ynyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11481480
lithium (4S)-4-propan-2-yl-1,3-oxazolidin-3-id-2-one
CID 10261139
(4S)-3-methyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11355536
(4R)-3-methyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 58484579
(4S)-3-methyl-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 132182255
(4S)-4-tert-butyl-3-methyl-1,3-oxazolidin-2-one
CID 132182260
(4S)-4-[(2S)-butan-2-yl]-1,3-oxazolidin-2-one
CID 10396945
Domggqldaqedes-uhfffaoysa-
CID 21577453
(4S)-3-ethynyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11205875
(4S)-3-ethenyl-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 12066134
tert-butyl (4S)-4-butan-2-yl-2-sulfanylidene-1,3-oxazolidine-3-carboxylate
CID 139221160

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-3-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-butan-2-yl-3-methyl-1,3-oxazolidin-2-one (CID 123549002) is 4-butan-2-yl-3-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-butan-2-yl-3-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-butan-2-yl-3-methyl-1,3-oxazolidin-2-one is CCC(C)C1COC(=O)N1C.
What is the InChIKey of 4-butan-2-yl-3-methyl-1,3-oxazolidin-2-one?
The InChIKey is WLPXDEBSYSXRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-6(2)7-5-11-8(10)9(7)3/h6-7H,4-5H2,1-3H3.
What are the key properties of 4-butan-2-yl-3-methyl-1,3-oxazolidin-2-one?
4-butan-2-yl-3-methyl-1,3-oxazolidin-2-one has a molecular weight of 157.21 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-3-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 123549002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).