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

C13H19N3O2 — CID 72905228

IUPAC(4S)-3-[(1-cyclopropylimidazol-2-yl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1Cc1nccn1C1CC1
InChIInChI=1S/C13H19N3O2/c1-9(2)11-8-18-13(17)16(11)7-12-14-5-6-15(12)10-3-4-10/h5-6,9-11H,3-4,7-8H2,1-2H3/t11-/m1/s1
InChIKeyGGKUKEYGJVXLIZ-LLVKDONJSA-N
MW249.31 g/mol
LogP2.19
Rot. Bonds4

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

(4S)-3-[(1-cyclopropylimidazol-2-yl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 72905228) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (4S)-3-[(1-cyclopropylimidazol-2-yl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(1-cyclopropylimidazol-2-yl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID72905228
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(4S)-3-[(1-cyclopropylimidazol-2-yl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1Cc1nccn1C1CC1
InChIInChI=1S/C13H19N3O2/c1-9(2)11-8-18-13(17)16(11)7-12-14-5-6-15(12)10-3-4-10/h5-6,9-11H,3-4,7-8H2,1-2H3/t11-/m1/s1
InChIKeyGGKUKEYGJVXLIZ-LLVKDONJSA-N
XLogP2.19
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(1-cyclopropylimidazol-2-yl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(1-cyclopropylimidazol-2-yl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 72905228) is (4S)-3-[(1-cyclopropylimidazol-2-yl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(1-cyclopropylimidazol-2-yl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(1-cyclopropylimidazol-2-yl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1Cc1nccn1C1CC1.
What is the InChIKey of (4S)-3-[(1-cyclopropylimidazol-2-yl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is GGKUKEYGJVXLIZ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9(2)11-8-18-13(17)16(11)7-12-14-5-6-15(12)10-3-4-10/h5-6,9-11H,3-4,7-8H2,1-2H3/t11-/m1/s1.
What are the key properties of (4S)-3-[(1-cyclopropylimidazol-2-yl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(1-cyclopropylimidazol-2-yl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 249.31 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(1-cyclopropylimidazol-2-yl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 72905228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).