3-(4-methoxyphenyl)-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one

C13H15NO3 — CID 15202863

IUPAC3-(4-methoxyphenyl)-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
SMILESCOc1ccc(C2OCC3CCC(=O)N32)cc1
InChIInChI=1S/C13H15NO3/c1-16-11-5-2-9(3-6-11)13-14-10(8-17-13)4-7-12(14)15/h2-3,5-6,10,13H,4,7-8H2,1H3
InChIKeyMXCFOYHQLKMKRU-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.72
Rot. Bonds2

About 3-(4-methoxyphenyl)-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one

3-(4-methoxyphenyl)-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one (PubChem CID 15202863) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
PubChem CID15202863
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name3-(4-methoxyphenyl)-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
SMILESCOc1ccc(C2OCC3CCC(=O)N32)cc1
InChIInChI=1S/C13H15NO3/c1-16-11-5-2-9(3-6-11)13-14-10(8-17-13)4-7-12(14)15/h2-3,5-6,10,13H,4,7-8H2,1H3
InChIKeyMXCFOYHQLKMKRU-UHFFFAOYSA-N
XLogP1.72
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4-methoxyphenyl)-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one with MolForge

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Related Compounds

(3R,7aS)-6-fluoro-3-(4-methoxyphenyl)-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
CID 118414570
6-methoxy-3-(4-methoxyphenyl)-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
CID 142734609
1-phenyl-1,3,4,4a,5,6-hexahydropyrrolo[1,2-c][1,3]oxazin-7-one
CID 163912584
3-fluoro-7-(4-methoxyphenyl)-3-methyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one
CID 142734620
(3R,7aS)-6-methoxy-3-(4-methoxyphenyl)-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole
CID 155671104
(3R,7aS)-3-(4-bromophenyl)-6-(1-hydroxycyclobutyl)-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one;(3R)-3-(4-bromophenyl)-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one;cyclobutanone
CID 159132884
2-(4-methoxyphenyl)-3-(oxolan-3-yl)imidazolidin-4-one
CID 83270364
1-ethyl-5-(4-methoxyphenyl)pyrrolidin-2-one
CID 141398583
1,5-bis(4-methoxyphenyl)piperidin-2-one
CID 153340032
5-(4-methoxyphenyl)-6-(oxolan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83267252
(2S,4S)-2-(4-methoxyphenyl)-3-nitroso-4-phenyl-1,3-oxazolidine
CID 102477659
CID 59269508
CID 59269508

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
The IUPAC name of 3-(4-methoxyphenyl)-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one (CID 15202863) is 3-(4-methoxyphenyl)-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
The canonical SMILES for 3-(4-methoxyphenyl)-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one is COc1ccc(C2OCC3CCC(=O)N32)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
The InChIKey is MXCFOYHQLKMKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-16-11-5-2-9(3-6-11)13-14-10(8-17-13)4-7-12(14)15/h2-3,5-6,10,13H,4,7-8H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
3-(4-methoxyphenyl)-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one has a molecular weight of 233.27 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one is sourced from PubChem (CID 15202863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).