1-[(4S)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-yl]butan-1-one

C12H23NO2 — CID 11052995

IUPAC1-[(4S)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-yl]butan-1-one
SMILESCCCC(=O)N1[C@@H](C(C)C)COC1(C)C
InChIInChI=1S/C12H23NO2/c1-6-7-11(14)13-10(9(2)3)8-15-12(13,4)5/h9-10H,6-8H2,1-5H3/t10-/m1/s1
InChIKeySDBGFYJWLCPCLR-SNVBAGLBSA-N
MW213.32 g/mol
LogP2.41
Rot. Bonds3

About 1-[(4S)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-yl]butan-1-one

1-[(4S)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-yl]butan-1-one (PubChem CID 11052995) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-[(4S)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-yl]butan-1-one.

Molecular Properties

Compound Name1-[(4S)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-yl]butan-1-one
PubChem CID11052995
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-[(4S)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-yl]butan-1-one
SMILESCCCC(=O)N1[C@@H](C(C)C)COC1(C)C
InChIInChI=1S/C12H23NO2/c1-6-7-11(14)13-10(9(2)3)8-15-12(13,4)5/h9-10H,6-8H2,1-5H3/t10-/m1/s1
InChIKeySDBGFYJWLCPCLR-SNVBAGLBSA-N
XLogP2.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-yl]butan-1-one?
The IUPAC name of 1-[(4S)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-yl]butan-1-one (CID 11052995) is 1-[(4S)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-yl]butan-1-one.
What is the SMILES notation for 1-[(4S)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-yl]butan-1-one?
The canonical SMILES for 1-[(4S)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-yl]butan-1-one is CCCC(=O)N1[C@@H](C(C)C)COC1(C)C.
What is the InChIKey of 1-[(4S)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-yl]butan-1-one?
The InChIKey is SDBGFYJWLCPCLR-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H23NO2/c1-6-7-11(14)13-10(9(2)3)8-15-12(13,4)5/h9-10H,6-8H2,1-5H3/t10-/m1/s1.
What are the key properties of 1-[(4S)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-yl]butan-1-one?
1-[(4S)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-yl]butan-1-one has a molecular weight of 213.32 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-yl]butan-1-one is sourced from PubChem (CID 11052995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).