2-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one

C17H19N3O2 — CID 3243106

IUPAC2-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILESCc1ccc(C2N(c3cc(C)on3)C(=O)C3CCCN32)cc1
InChIInChI=1S/C17H19N3O2/c1-11-5-7-13(8-6-11)16-19-9-3-4-14(19)17(21)20(16)15-10-12(2)22-18-15/h5-8,10,14,16H,3-4,9H2,1-2H3
InChIKeyKKRZRZAJAVDEEL-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.80
Rot. Bonds2

About 2-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one

2-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (PubChem CID 3243106) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one.

Molecular Properties

Compound Name2-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
PubChem CID3243106
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILESCc1ccc(C2N(c3cc(C)on3)C(=O)C3CCCN32)cc1
InChIInChI=1S/C17H19N3O2/c1-11-5-7-13(8-6-11)16-19-9-3-4-14(19)17(21)20(16)15-10-12(2)22-18-15/h5-8,10,14,16H,3-4,9H2,1-2H3
InChIKeyKKRZRZAJAVDEEL-UHFFFAOYSA-N
XLogP2.80
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The IUPAC name of 2-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (CID 3243106) is 2-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one.
What is the SMILES notation for 2-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The canonical SMILES for 2-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one is Cc1ccc(C2N(c3cc(C)on3)C(=O)C3CCCN32)cc1.
What is the InChIKey of 2-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The InChIKey is KKRZRZAJAVDEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-11-5-7-13(8-6-11)16-19-9-3-4-14(19)17(21)20(16)15-10-12(2)22-18-15/h5-8,10,14,16H,3-4,9H2,1-2H3.
What are the key properties of 2-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
2-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one has a molecular weight of 297.36 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one is sourced from PubChem (CID 3243106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).