2-(5-tert-butyl-1,2-oxazol-3-yl)-1-hydroxy-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one

C13H19N3O3 — CID 121324923

IUPAC2-(5-tert-butyl-1,2-oxazol-3-yl)-1-hydroxy-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
SMILESCC(C)(C)c1cc(N2C(=O)N3CCCC3C2O)no1
InChIInChI=1S/C13H19N3O3/c1-13(2,3)9-7-10(14-19-9)16-11(17)8-5-4-6-15(8)12(16)18/h7-8,11,17H,4-6H2,1-3H3
InChIKeyBNMKZCMWVUIDQC-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.69
Rot. Bonds1

About 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-hydroxy-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one

2-(5-tert-butyl-1,2-oxazol-3-yl)-1-hydroxy-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one (PubChem CID 121324923) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-hydroxy-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one.

Molecular Properties

Compound Name2-(5-tert-butyl-1,2-oxazol-3-yl)-1-hydroxy-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
PubChem CID121324923
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-(5-tert-butyl-1,2-oxazol-3-yl)-1-hydroxy-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
SMILESCC(C)(C)c1cc(N2C(=O)N3CCCC3C2O)no1
InChIInChI=1S/C13H19N3O3/c1-13(2,3)9-7-10(14-19-9)16-11(17)8-5-4-6-15(8)12(16)18/h7-8,11,17H,4-6H2,1-3H3
InChIKeyBNMKZCMWVUIDQC-UHFFFAOYSA-N
XLogP1.69
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-hydroxy-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one with MolForge

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Related Compounds

Busoxinone
CID 156909
3-[5-(2-Fluoroethyl)-1,2-oxazol-3-yl]-4-hydroxy-1-methylimidazolidin-2-one
CID 20447024
1-Ethyl-4-hydroxy-3-[5-(1,1,1-trifluoropentan-3-yl)-1,2-oxazol-3-yl]imidazolidin-2-one
CID 20447040
1-[5-(2-Fluoropropan-2-yl)-1,2-oxazol-3-yl]-5-hydroxy-3,4-dimethylimidazolidin-2-one
CID 121320784
1-[5-(2-Fluoropropan-2-yl)-1,2-oxazol-3-yl]-5-hydroxy-3-methoxy-4-methylimidazolidin-2-one
CID 121320785
3-[5-(2-Fluoropropan-2-yl)-1,2-oxazol-3-yl]-4-hydroxy-1-methylimidazolidin-2-one
CID 121324672
4-Hydroxy-1-methyl-3-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]imidazolidin-2-one
CID 121324759
1-[5-(2-Fluoropropan-2-yl)-1,2-oxazol-3-yl]-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one
CID 129088786
3-[5-(1,1-Dimethylethyl)-3-isoxazolyl]-4,5-dihydroxy-1-methyl-2-imidazolidinone
CID 12918841
1-(5-Tert-butyl-1,2-oxazol-3-yl)-3-methylimidazolidin-2-one
CID 13489609
1-(5-Tert-butyl-1,2-oxazol-3-yl)-3-prop-2-enylimidazolidin-2-one
CID 13489619
1-(5-Tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-3-methylimidazolidine-2,4-dione
CID 13489641

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-hydroxy-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one?
The IUPAC name of 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-hydroxy-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one (CID 121324923) is 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-hydroxy-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one.
What is the SMILES notation for 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-hydroxy-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one?
The canonical SMILES for 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-hydroxy-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one is CC(C)(C)c1cc(N2C(=O)N3CCCC3C2O)no1.
What is the InChIKey of 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-hydroxy-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one?
The InChIKey is BNMKZCMWVUIDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-13(2,3)9-7-10(14-19-9)16-11(17)8-5-4-6-15(8)12(16)18/h7-8,11,17H,4-6H2,1-3H3.
What are the key properties of 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-hydroxy-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one?
2-(5-tert-butyl-1,2-oxazol-3-yl)-1-hydroxy-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one has a molecular weight of 265.31 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-1,2-oxazol-3-yl)-1-hydroxy-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one is sourced from PubChem (CID 121324923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).