(4S)-4-propan-2-yl-3-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3-oxazolidin-2-one

C13H21N3O2 — CID 72841303

IUPAC(4S)-4-propan-2-yl-3-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1Cc1nccn1C(C)C
InChIInChI=1S/C13H21N3O2/c1-9(2)11-8-18-13(17)16(11)7-12-14-5-6-15(12)10(3)4/h5-6,9-11H,7-8H2,1-4H3/t11-/m1/s1
InChIKeyXJWCFVHVBQTTJG-LLVKDONJSA-N
MW251.33 g/mol
LogP2.44
Rot. Bonds4

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

(4S)-4-propan-2-yl-3-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 72841303) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is (4S)-4-propan-2-yl-3-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-propan-2-yl-3-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID72841303
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name(4S)-4-propan-2-yl-3-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1Cc1nccn1C(C)C
InChIInChI=1S/C13H21N3O2/c1-9(2)11-8-18-13(17)16(11)7-12-14-5-6-15(12)10(3)4/h5-6,9-11H,7-8H2,1-4H3/t11-/m1/s1
InChIKeyXJWCFVHVBQTTJG-LLVKDONJSA-N
XLogP2.44
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S)-4-propan-2-yl-3-[(1-propan-2-ylimidazol-2-yl)methyl]-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

Frequently Asked Questions

What is the IUPAC name of (4S)-4-propan-2-yl-3-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-propan-2-yl-3-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3-oxazolidin-2-one (CID 72841303) is (4S)-4-propan-2-yl-3-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-propan-2-yl-3-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-propan-2-yl-3-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1Cc1nccn1C(C)C.
What is the InChIKey of (4S)-4-propan-2-yl-3-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is XJWCFVHVBQTTJG-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9(2)11-8-18-13(17)16(11)7-12-14-5-6-15(12)10(3)4/h5-6,9-11H,7-8H2,1-4H3/t11-/m1/s1.
What are the key properties of (4S)-4-propan-2-yl-3-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3-oxazolidin-2-one?
(4S)-4-propan-2-yl-3-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 251.33 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-propan-2-yl-3-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 72841303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).