2-[(2R,4R)-4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-1H-imidazol-5-one

C18H26N4O4 — CID 166771200

IUPAC2-[(2R,4R)-4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-1H-imidazol-5-one
SMILESCc1cc(C(C(=O)N2C[C@H](O)C[C@@H]2C2=NC(C)(C)C(=O)N2)C(C)C)on1
InChIInChI=1S/C18H26N4O4/c1-9(2)14(13-6-10(3)21-26-13)16(24)22-8-11(23)7-12(22)15-19-17(25)18(4,5)20-15/h6,9,11-12,14,23H,7-8H2,1-5H3,(H,19,20,25)/t11-,12-,14?/m1/s1
InChIKeyVEGOWGIYNZHSAH-QAYQGLBKSA-N
MW362.43 g/mol
LogP0.99
Rot. Bonds4

About 2-[(2R,4R)-4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-1H-imidazol-5-one

2-[(2R,4R)-4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-1H-imidazol-5-one (PubChem CID 166771200) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-[(2R,4R)-4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-1H-imidazol-5-one.

Molecular Properties

Compound Name2-[(2R,4R)-4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-1H-imidazol-5-one
PubChem CID166771200
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Name2-[(2R,4R)-4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-1H-imidazol-5-one
SMILESCc1cc(C(C(=O)N2C[C@H](O)C[C@@H]2C2=NC(C)(C)C(=O)N2)C(C)C)on1
InChIInChI=1S/C18H26N4O4/c1-9(2)14(13-6-10(3)21-26-13)16(24)22-8-11(23)7-12(22)15-19-17(25)18(4,5)20-15/h6,9,11-12,14,23H,7-8H2,1-5H3,(H,19,20,25)/t11-,12-,14?/m1/s1
InChIKeyVEGOWGIYNZHSAH-QAYQGLBKSA-N
XLogP0.99
TPSA108.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(2R,4R)-4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-1H-imidazol-5-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 2-[(2R,4R)-4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-1H-imidazol-5-one?
The IUPAC name of 2-[(2R,4R)-4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-1H-imidazol-5-one (CID 166771200) is 2-[(2R,4R)-4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-1H-imidazol-5-one.
What is the SMILES notation for 2-[(2R,4R)-4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-1H-imidazol-5-one?
The canonical SMILES for 2-[(2R,4R)-4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-1H-imidazol-5-one is Cc1cc(C(C(=O)N2C[C@H](O)C[C@@H]2C2=NC(C)(C)C(=O)N2)C(C)C)on1.
What is the InChIKey of 2-[(2R,4R)-4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-1H-imidazol-5-one?
The InChIKey is VEGOWGIYNZHSAH-QAYQGLBKSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-9(2)14(13-6-10(3)21-26-13)16(24)22-8-11(23)7-12(22)15-19-17(25)18(4,5)20-15/h6,9,11-12,14,23H,7-8H2,1-5H3,(H,19,20,25)/t11-,12-,14?/m1/s1.
What are the key properties of 2-[(2R,4R)-4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-1H-imidazol-5-one?
2-[(2R,4R)-4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-1H-imidazol-5-one has a molecular weight of 362.43 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4R)-4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-1H-imidazol-5-one is sourced from PubChem (CID 166771200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).