(3S,7aS)-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one

C12H11NO2 — CID 51669488

IUPAC(3S,7aS)-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
SMILESO=C1C=C[C@H]2CO[C@@H](c3ccccc3)N12
InChIInChI=1S/C12H11NO2/c14-11-7-6-10-8-15-12(13(10)11)9-4-2-1-3-5-9/h1-7,10,12H,8H2/t10-,12-/m0/s1
InChIKeyGYAPIMIROZBAGG-JQWIXIFHSA-N
MW201.23 g/mol
LogP1.48
Rot. Bonds1

About (3S,7aS)-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one

(3S,7aS)-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one (PubChem CID 51669488) has the molecular formula C12H11NO2 and a molecular weight of 201.23 g/mol. Its IUPAC name is (3S,7aS)-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one.

Molecular Properties

Compound Name(3S,7aS)-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
PubChem CID51669488
Molecular FormulaC12H11NO2
Molecular Weight201.23 g/mol
Exact Mass201.08
IUPAC Name(3S,7aS)-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
SMILESO=C1C=C[C@H]2CO[C@@H](c3ccccc3)N12
InChIInChI=1S/C12H11NO2/c14-11-7-6-10-8-15-12(13(10)11)9-4-2-1-3-5-9/h1-7,10,12H,8H2/t10-,12-/m0/s1
InChIKeyGYAPIMIROZBAGG-JQWIXIFHSA-N
XLogP1.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,7aS)-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
The IUPAC name of (3S,7aS)-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one (CID 51669488) is (3S,7aS)-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one.
What is the SMILES notation for (3S,7aS)-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
The canonical SMILES for (3S,7aS)-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one is O=C1C=C[C@H]2CO[C@@H](c3ccccc3)N12.
What is the InChIKey of (3S,7aS)-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
The InChIKey is GYAPIMIROZBAGG-JQWIXIFHSA-N. The full InChI is InChI=1S/C12H11NO2/c14-11-7-6-10-8-15-12(13(10)11)9-4-2-1-3-5-9/h1-7,10,12H,8H2/t10-,12-/m0/s1.
What are the key properties of (3S,7aS)-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
(3S,7aS)-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one has a molecular weight of 201.23 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,7aS)-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one is sourced from PubChem (CID 51669488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).