(3R,6Z,7aS)-6-(furan-2-ylmethylidene)-3-methyl-3-phenyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one

C18H17NO3 — CID 10935305

IUPAC(3R,6Z,7aS)-6-(furan-2-ylmethylidene)-3-methyl-3-phenyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
SMILESC[C@]1(c2ccccc2)OC[C@@H]2C/C(=C/c3ccco3)C(=O)N21
InChIInChI=1S/C18H17NO3/c1-18(14-6-3-2-4-7-14)19-15(12-22-18)10-13(17(19)20)11-16-8-5-9-21-16/h2-9,11,15H,10,12H2,1H3/b13-11-/t15-,18+/m0/s1
InChIKeyDIGZJZLSFRPFLT-CEIYQTNSSA-N
MW295.34 g/mol
LogP3.17
Rot. Bonds2

About (3R,6Z,7aS)-6-(furan-2-ylmethylidene)-3-methyl-3-phenyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one

(3R,6Z,7aS)-6-(furan-2-ylmethylidene)-3-methyl-3-phenyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one (PubChem CID 10935305) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is (3R,6Z,7aS)-6-(furan-2-ylmethylidene)-3-methyl-3-phenyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one.

Molecular Properties

Compound Name(3R,6Z,7aS)-6-(furan-2-ylmethylidene)-3-methyl-3-phenyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
PubChem CID10935305
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name(3R,6Z,7aS)-6-(furan-2-ylmethylidene)-3-methyl-3-phenyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
SMILESC[C@]1(c2ccccc2)OC[C@@H]2C/C(=C/c3ccco3)C(=O)N21
InChIInChI=1S/C18H17NO3/c1-18(14-6-3-2-4-7-14)19-15(12-22-18)10-13(17(19)20)11-16-8-5-9-21-16/h2-9,11,15H,10,12H2,1H3/b13-11-/t15-,18+/m0/s1
InChIKeyDIGZJZLSFRPFLT-CEIYQTNSSA-N
XLogP3.17
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (3R,6Z,7aS)-6-(furan-2-ylmethylidene)-3-methyl-3-phenyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one with MolForge

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Related Compounds

4-(2-Furylcarbonyl)-3-hydroxy-1-(oxolan-2-ylmethyl)-5-phenyl-3-pyrrolin-2-one
CID 3152540
1-(2-Furanylmethyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
CID 2928864
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(4-phenylfuran-2-yl)methanone
CID 24945034
N-(furan-2-ylmethyl)-N-[3-(furan-2-yl)-4-phenylbutyl]propanamide
CID 2928234
N-(furan-2-ylmethyl)-N-[3-(furan-2-yl)-4-phenylbutyl]acetamide
CID 2950900
1-(2-Furylmethyl)-3-(1-phenylethyl)-2,5-pyrrolidinedione
CID 2952568
3-Benzyl-1-(furan-2-ylmethyl)pyrrolidine-2,5-dione
CID 3151045
1-(4-fluorobenzyl)-N-(2-furylmethyl)-N-methyl-5-oxoprolinamide
CID 3236121
(2S)-1-(2-furylmethyl)-5-oxo-N-[(1S)-1-phenylethyl]tetrahydro-1H-pyrrole-2-carboxamide
CID 7101879
(2R)-N-benzyl-1-(2-furylmethyl)-N-methyl-5-oxotetrahydro-1H-pyrrole-2-carboxamide
CID 7101881
N-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-N-(furan-2-ylmethyl)-2-phenylacetamide
CID 658194
N-[(3-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 4880699

Frequently Asked Questions

What is the IUPAC name of (3R,6Z,7aS)-6-(furan-2-ylmethylidene)-3-methyl-3-phenyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
The IUPAC name of (3R,6Z,7aS)-6-(furan-2-ylmethylidene)-3-methyl-3-phenyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one (CID 10935305) is (3R,6Z,7aS)-6-(furan-2-ylmethylidene)-3-methyl-3-phenyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one.
What is the SMILES notation for (3R,6Z,7aS)-6-(furan-2-ylmethylidene)-3-methyl-3-phenyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
The canonical SMILES for (3R,6Z,7aS)-6-(furan-2-ylmethylidene)-3-methyl-3-phenyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one is C[C@]1(c2ccccc2)OC[C@@H]2C/C(=C/c3ccco3)C(=O)N21.
What is the InChIKey of (3R,6Z,7aS)-6-(furan-2-ylmethylidene)-3-methyl-3-phenyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
The InChIKey is DIGZJZLSFRPFLT-CEIYQTNSSA-N. The full InChI is InChI=1S/C18H17NO3/c1-18(14-6-3-2-4-7-14)19-15(12-22-18)10-13(17(19)20)11-16-8-5-9-21-16/h2-9,11,15H,10,12H2,1H3/b13-11-/t15-,18+/m0/s1.
What are the key properties of (3R,6Z,7aS)-6-(furan-2-ylmethylidene)-3-methyl-3-phenyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
(3R,6Z,7aS)-6-(furan-2-ylmethylidene)-3-methyl-3-phenyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one has a molecular weight of 295.34 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6Z,7aS)-6-(furan-2-ylmethylidene)-3-methyl-3-phenyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one is sourced from PubChem (CID 10935305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).