(7aS)-6-(2,5-difluorophenyl)-7a-phenyl-1,5-dihydropyrrolo[1,2-c][1,3]oxazol-3-one

C18H13F2NO2 — CID 58974220

IUPAC(7aS)-6-(2,5-difluorophenyl)-7a-phenyl-1,5-dihydropyrrolo[1,2-c][1,3]oxazol-3-one
SMILESO=C1OC[C@@]2(c3ccccc3)C=C(c3cc(F)ccc3F)CN12
InChIInChI=1S/C18H13F2NO2/c19-14-6-7-16(20)15(8-14)12-9-18(13-4-2-1-3-5-13)11-23-17(22)21(18)10-12/h1-9H,10-11H2/t18-/m1/s1
InChIKeyAISHLPVFZCUJRF-GOSISDBHSA-N
MW313.30 g/mol
LogP3.71
Rot. Bonds2

About (7aS)-6-(2,5-difluorophenyl)-7a-phenyl-1,5-dihydropyrrolo[1,2-c][1,3]oxazol-3-one

(7aS)-6-(2,5-difluorophenyl)-7a-phenyl-1,5-dihydropyrrolo[1,2-c][1,3]oxazol-3-one (PubChem CID 58974220) has the molecular formula C18H13F2NO2 and a molecular weight of 313.30 g/mol. Its IUPAC name is (7aS)-6-(2,5-difluorophenyl)-7a-phenyl-1,5-dihydropyrrolo[1,2-c][1,3]oxazol-3-one.

Molecular Properties

Compound Name(7aS)-6-(2,5-difluorophenyl)-7a-phenyl-1,5-dihydropyrrolo[1,2-c][1,3]oxazol-3-one
PubChem CID58974220
Molecular FormulaC18H13F2NO2
Molecular Weight313.30 g/mol
Exact Mass313.09
IUPAC Name(7aS)-6-(2,5-difluorophenyl)-7a-phenyl-1,5-dihydropyrrolo[1,2-c][1,3]oxazol-3-one
SMILESO=C1OC[C@@]2(c3ccccc3)C=C(c3cc(F)ccc3F)CN12
InChIInChI=1S/C18H13F2NO2/c19-14-6-7-16(20)15(8-14)12-9-18(13-4-2-1-3-5-13)11-23-17(22)21(18)10-12/h1-9H,10-11H2/t18-/m1/s1
InChIKeyAISHLPVFZCUJRF-GOSISDBHSA-N
XLogP3.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.30
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7aS)-6-(2,5-difluorophenyl)-7a-phenyl-1,5-dihydropyrrolo[1,2-c][1,3]oxazol-3-one?
The IUPAC name of (7aS)-6-(2,5-difluorophenyl)-7a-phenyl-1,5-dihydropyrrolo[1,2-c][1,3]oxazol-3-one (CID 58974220) is (7aS)-6-(2,5-difluorophenyl)-7a-phenyl-1,5-dihydropyrrolo[1,2-c][1,3]oxazol-3-one.
What is the SMILES notation for (7aS)-6-(2,5-difluorophenyl)-7a-phenyl-1,5-dihydropyrrolo[1,2-c][1,3]oxazol-3-one?
The canonical SMILES for (7aS)-6-(2,5-difluorophenyl)-7a-phenyl-1,5-dihydropyrrolo[1,2-c][1,3]oxazol-3-one is O=C1OC[C@@]2(c3ccccc3)C=C(c3cc(F)ccc3F)CN12.
What is the InChIKey of (7aS)-6-(2,5-difluorophenyl)-7a-phenyl-1,5-dihydropyrrolo[1,2-c][1,3]oxazol-3-one?
The InChIKey is AISHLPVFZCUJRF-GOSISDBHSA-N. The full InChI is InChI=1S/C18H13F2NO2/c19-14-6-7-16(20)15(8-14)12-9-18(13-4-2-1-3-5-13)11-23-17(22)21(18)10-12/h1-9H,10-11H2/t18-/m1/s1.
What are the key properties of (7aS)-6-(2,5-difluorophenyl)-7a-phenyl-1,5-dihydropyrrolo[1,2-c][1,3]oxazol-3-one?
(7aS)-6-(2,5-difluorophenyl)-7a-phenyl-1,5-dihydropyrrolo[1,2-c][1,3]oxazol-3-one has a molecular weight of 313.30 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7aS)-6-(2,5-difluorophenyl)-7a-phenyl-1,5-dihydropyrrolo[1,2-c][1,3]oxazol-3-one is sourced from PubChem (CID 58974220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).