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

C16H17N3O2 — CID 3240747

IUPAC2-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILESCc1cc(N2C(=O)C3CCCN3C2c2ccccc2)no1
InChIInChI=1S/C16H17N3O2/c1-11-10-14(17-21-11)19-15(12-6-3-2-4-7-12)18-9-5-8-13(18)16(19)20/h2-4,6-7,10,13,15H,5,8-9H2,1H3
InChIKeyJZCACWOHRODOGV-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.49
Rot. Bonds2

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

2-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (PubChem CID 3240747) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-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-phenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
PubChem CID3240747
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILESCc1cc(N2C(=O)C3CCCN3C2c2ccccc2)no1
InChIInChI=1S/C16H17N3O2/c1-11-10-14(17-21-11)19-15(12-6-3-2-4-7-12)18-9-5-8-13(18)16(19)20/h2-4,6-7,10,13,15H,5,8-9H2,1H3
InChIKeyJZCACWOHRODOGV-UHFFFAOYSA-N
XLogP2.49
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.49
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-phenyl-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-phenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (CID 3240747) is 2-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-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-phenyl-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-phenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one is Cc1cc(N2C(=O)C3CCCN3C2c2ccccc2)no1.
What is the InChIKey of 2-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The InChIKey is JZCACWOHRODOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11-10-14(17-21-11)19-15(12-6-3-2-4-7-12)18-9-5-8-13(18)16(19)20/h2-4,6-7,10,13,15H,5,8-9H2,1H3.
What are the key properties of 2-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
2-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one has a molecular weight of 283.33 g/mol, XLogP of 2.49, 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-phenyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one is sourced from PubChem (CID 3240747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).