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

C14H23N3O2 — CID 72868054

IUPAC(4S)-3-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)Cn1cncc1CN1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C14H23N3O2/c1-10(2)6-16-9-15-5-12(16)7-17-13(11(3)4)8-19-14(17)18/h5,9-11,13H,6-8H2,1-4H3/t13-/m1/s1
InChIKeyHJHHDXZMUIGPBD-CYBMUJFWSA-N
MW265.36 g/mol
LogP2.52
Rot. Bonds5

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

(4S)-3-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 72868054) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is (4S)-3-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID72868054
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name(4S)-3-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)Cn1cncc1CN1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C14H23N3O2/c1-10(2)6-16-9-15-5-12(16)7-17-13(11(3)4)8-19-14(17)18/h5,9-11,13H,6-8H2,1-4H3/t13-/m1/s1
InChIKeyHJHHDXZMUIGPBD-CYBMUJFWSA-N
XLogP2.52
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 72868054) is (4S)-3-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)Cn1cncc1CN1C(=O)OC[C@@H]1C(C)C.
What is the InChIKey of (4S)-3-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is HJHHDXZMUIGPBD-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10(2)6-16-9-15-5-12(16)7-17-13(11(3)4)8-19-14(17)18/h5,9-11,13H,6-8H2,1-4H3/t13-/m1/s1.
What are the key properties of (4S)-3-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 265.36 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 72868054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).