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1-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-3-(5-thiophen-2-yl-1,2-oxazol-3-yl)urea

C15H15N5O2S — CID 154869861

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-3-(5-thiophen-2-yl-1,2-oxazol-3-yl)urea
SMILESCC1CC(NC(=O)Nc2cc(-c3cccs3)on2)c2nccn21
InChIInChI=1S/C15H15N5O2S/c1-9-7-10(14-16-4-5-20(9)14)17-15(21)18-13-8-11(22-19-13)12-3-2-6-23-12/h2-6,8-10H,7H2,1H3,(H2,17,18,19,21)
InChIKeyDQKHYJXUDSYWQK-UHFFFAOYSA-N
MW329.39 g/mol
LogP3.43
Rot. Bonds3

About 1-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-3-(5-thiophen-2-yl-1,2-oxazol-3-yl)urea

1-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-3-(5-thiophen-2-yl-1,2-oxazol-3-yl)urea (PubChem CID 154869861) has the molecular formula C15H15N5O2S and a molecular weight of 329.39 g/mol. Its IUPAC name is 1-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-3-(5-thiophen-2-yl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-3-(5-thiophen-2-yl-1,2-oxazol-3-yl)urea
PubChem CID154869861
Molecular FormulaC15H15N5O2S
Molecular Weight329.39 g/mol
Exact Mass329.09
IUPAC Name1-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-3-(5-thiophen-2-yl-1,2-oxazol-3-yl)urea
SMILESCC1CC(NC(=O)Nc2cc(-c3cccs3)on2)c2nccn21
InChIInChI=1S/C15H15N5O2S/c1-9-7-10(14-16-4-5-20(9)14)17-15(21)18-13-8-11(22-19-13)12-3-2-6-23-12/h2-6,8-10H,7H2,1H3,(H2,17,18,19,21)
InChIKeyDQKHYJXUDSYWQK-UHFFFAOYSA-N
XLogP3.43
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-3-(5-thiophen-2-yl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-3-(5-thiophen-2-yl-1,2-oxazol-3-yl)urea (CID 154869861) is 1-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-3-(5-thiophen-2-yl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-3-(5-thiophen-2-yl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-3-(5-thiophen-2-yl-1,2-oxazol-3-yl)urea is CC1CC(NC(=O)Nc2cc(-c3cccs3)on2)c2nccn21.
What is the InChIKey of 1-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-3-(5-thiophen-2-yl-1,2-oxazol-3-yl)urea?
The InChIKey is DQKHYJXUDSYWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S/c1-9-7-10(14-16-4-5-20(9)14)17-15(21)18-13-8-11(22-19-13)12-3-2-6-23-12/h2-6,8-10H,7H2,1H3,(H2,17,18,19,21).
What are the key properties of 1-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-3-(5-thiophen-2-yl-1,2-oxazol-3-yl)urea?
1-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-3-(5-thiophen-2-yl-1,2-oxazol-3-yl)urea has a molecular weight of 329.39 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-3-(5-thiophen-2-yl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 154869861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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