(2R,7aS)-2-phenyl-5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazol-3-one

C12H13NO2 — CID 125487502

IUPAC(2R,7aS)-2-phenyl-5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazol-3-one
SMILESO=C1[C@@H](c2ccccc2)O[C@H]2CCCN12
InChIInChI=1S/C12H13NO2/c14-12-11(9-5-2-1-3-6-9)15-10-7-4-8-13(10)12/h1-3,5-6,10-11H,4,7-8H2/t10-,11+/m0/s1
InChIKeyRJKZHMSWICFFAD-WDEREUQCSA-N
MW203.24 g/mol
LogP1.71
Rot. Bonds1

About (2R,7aS)-2-phenyl-5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazol-3-one

(2R,7aS)-2-phenyl-5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazol-3-one (PubChem CID 125487502) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is (2R,7aS)-2-phenyl-5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazol-3-one.

Molecular Properties

Compound Name(2R,7aS)-2-phenyl-5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazol-3-one
PubChem CID125487502
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name(2R,7aS)-2-phenyl-5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazol-3-one
SMILESO=C1[C@@H](c2ccccc2)O[C@H]2CCCN12
InChIInChI=1S/C12H13NO2/c14-12-11(9-5-2-1-3-6-9)15-10-7-4-8-13(10)12/h1-3,5-6,10-11H,4,7-8H2/t10-,11+/m0/s1
InChIKeyRJKZHMSWICFFAD-WDEREUQCSA-N
XLogP1.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R,7aS)-2-phenyl-5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazol-3-one with MolForge

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Related Compounds

3-ME-5-PH Oxazolidine-2,4-dione
CID 571063
Pyrrolo(2,1-b)oxazol-5-one, 2,3,5,6,7,7a-hexahydro-7a-phenyl-
CID 201901
(3S-cis)-(+)-Tetrahydro-3,7a-diphenylpyrrolo[2,1-b]oxazol-5(6H)-one
CID 854037
1-[(2S)-2-(benzyloxy)propanoyl]pyrrolidine
CID 10879038
7-Phenyl-9,10-dioxo-1-aza-8-oxabicyclo(5.2.1)decane
CID 129241
(6R)-6-phenyl-7-oxa-1-azabicyclo[4.2.1]nonane-8,9-dione
CID 44310828
(7S)-7-phenyl-8-oxa-1-azabicyclo[5.2.1]decane-9,10-dione
CID 49799956
(2,4-Dioxo-5-phenyl-1,3-oxazolidin-3-yl)acetic acid
CID 272750
2-methoxy-N,N-dimethyl-2-phenylacetamide
CID 15642516
4-Butyl-2-phenylmorpholin-3-one
CID 3056627
3-Morpholinone, 4-isopropyl-2-phenyl-
CID 3056628
2-[(5S)-2,4-dioxo-5-phenyl-1,3-oxazolidin-3-yl]acetate
CID 25181261

Frequently Asked Questions

What is the IUPAC name of (2R,7aS)-2-phenyl-5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazol-3-one?
The IUPAC name of (2R,7aS)-2-phenyl-5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazol-3-one (CID 125487502) is (2R,7aS)-2-phenyl-5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazol-3-one.
What is the SMILES notation for (2R,7aS)-2-phenyl-5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazol-3-one?
The canonical SMILES for (2R,7aS)-2-phenyl-5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazol-3-one is O=C1[C@@H](c2ccccc2)O[C@H]2CCCN12.
What is the InChIKey of (2R,7aS)-2-phenyl-5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazol-3-one?
The InChIKey is RJKZHMSWICFFAD-WDEREUQCSA-N. The full InChI is InChI=1S/C12H13NO2/c14-12-11(9-5-2-1-3-6-9)15-10-7-4-8-13(10)12/h1-3,5-6,10-11H,4,7-8H2/t10-,11+/m0/s1.
What are the key properties of (2R,7aS)-2-phenyl-5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazol-3-one?
(2R,7aS)-2-phenyl-5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazol-3-one has a molecular weight of 203.24 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,7aS)-2-phenyl-5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazol-3-one is sourced from PubChem (CID 125487502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).