2-[2-[(6S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenyl]-1,3-oxazole

C15H13N3O — CID 44574075

IUPAC2-[2-[(6S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenyl]-1,3-oxazole
SMILESc1ccc([C@@H]2Cc3nccn3C2)c(-c2ncco2)c1
InChIInChI=1S/C15H13N3O/c1-2-4-13(15-17-6-8-19-15)12(3-1)11-9-14-16-5-7-18(14)10-11/h1-8,11H,9-10H2/t11-/m1/s1
InChIKeyMIWWMVGPFZMLEG-LLVKDONJSA-N
MW251.29 g/mol
LogP2.88
Rot. Bonds2

About 2-[2-[(6S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenyl]-1,3-oxazole

2-[2-[(6S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenyl]-1,3-oxazole (PubChem CID 44574075) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[2-[(6S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[2-[(6S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenyl]-1,3-oxazole
PubChem CID44574075
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name2-[2-[(6S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenyl]-1,3-oxazole
SMILESc1ccc([C@@H]2Cc3nccn3C2)c(-c2ncco2)c1
InChIInChI=1S/C15H13N3O/c1-2-4-13(15-17-6-8-19-15)12(3-1)11-9-14-16-5-7-18(14)10-11/h1-8,11H,9-10H2/t11-/m1/s1
InChIKeyMIWWMVGPFZMLEG-LLVKDONJSA-N
XLogP2.88
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenyl]-1,3-oxazole?
The IUPAC name of 2-[2-[(6S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenyl]-1,3-oxazole (CID 44574075) is 2-[2-[(6S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenyl]-1,3-oxazole.
What is the SMILES notation for 2-[2-[(6S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenyl]-1,3-oxazole?
The canonical SMILES for 2-[2-[(6S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenyl]-1,3-oxazole is c1ccc([C@@H]2Cc3nccn3C2)c(-c2ncco2)c1.
What is the InChIKey of 2-[2-[(6S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenyl]-1,3-oxazole?
The InChIKey is MIWWMVGPFZMLEG-LLVKDONJSA-N. The full InChI is InChI=1S/C15H13N3O/c1-2-4-13(15-17-6-8-19-15)12(3-1)11-9-14-16-5-7-18(14)10-11/h1-8,11H,9-10H2/t11-/m1/s1.
What are the key properties of 2-[2-[(6S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenyl]-1,3-oxazole?
2-[2-[(6S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenyl]-1,3-oxazole has a molecular weight of 251.29 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]phenyl]-1,3-oxazole is sourced from PubChem (CID 44574075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).