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

C14H17NO4 — CID 142734609

IUPAC6-methoxy-3-(4-methoxyphenyl)-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
SMILESCOc1ccc(C2OCC3CC(OC)C(=O)N32)cc1
InChIInChI=1S/C14H17NO4/c1-17-11-5-3-9(4-6-11)14-15-10(8-19-14)7-12(18-2)13(15)16/h3-6,10,12,14H,7-8H2,1-2H3
InChIKeyVKSYXYJUBOISTH-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.34
Rot. Bonds3

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

6-methoxy-3-(4-methoxyphenyl)-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one (PubChem CID 142734609) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 6-methoxy-3-(4-methoxyphenyl)-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one.

Molecular Properties

Compound Name6-methoxy-3-(4-methoxyphenyl)-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
PubChem CID142734609
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name6-methoxy-3-(4-methoxyphenyl)-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
SMILESCOc1ccc(C2OCC3CC(OC)C(=O)N32)cc1
InChIInChI=1S/C14H17NO4/c1-17-11-5-3-9(4-6-11)14-15-10(8-19-14)7-12(18-2)13(15)16/h3-6,10,12,14H,7-8H2,1-2H3
InChIKeyVKSYXYJUBOISTH-UHFFFAOYSA-N
XLogP1.34
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
3-(4-methoxyphenyl)-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
CID 15202863
(3R,7aS)-6-methoxy-3-(4-methoxyphenyl)-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole
CID 155671104
3-fluoro-7-(4-methoxyphenyl)-3-methyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one
CID 142734620
methyl (3R,6R,7aS)-5-oxo-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole-6-carboxylate
CID 97170203
5-(4-methoxyphenyl)-1,5,7,7a-tetrahydro-[1,3]thiazolo[3,4-c][1,3]oxazol-3-one
CID 117063247
(3R,6R,7aS)-3-phenyl-6-(2,2,2-trichloro-1-hydroxyethyl)-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
CID 11046357
4-(4-methoxyphenyl)-2-methyloxolane
CID 173252493
(2S,4S)-2-(4-methoxyphenyl)-3-nitroso-4-phenyl-1,3-oxazolidine
CID 102477659
(4R,6R)-2-(4-methoxyphenyl)-4,6-dimethyl-1,3-dioxane
CID 25233008
2-(4-methoxyphenyl)-1,3-dioxan-5-ol
CID 13478629
2-(4-methoxyphenyl)-3-nitroso-1,3-oxazolidine
CID 101429995

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-(4-methoxyphenyl)-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
The IUPAC name of 6-methoxy-3-(4-methoxyphenyl)-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one (CID 142734609) is 6-methoxy-3-(4-methoxyphenyl)-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one.
What is the SMILES notation for 6-methoxy-3-(4-methoxyphenyl)-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
The canonical SMILES for 6-methoxy-3-(4-methoxyphenyl)-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one is COc1ccc(C2OCC3CC(OC)C(=O)N32)cc1.
What is the InChIKey of 6-methoxy-3-(4-methoxyphenyl)-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
The InChIKey is VKSYXYJUBOISTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-17-11-5-3-9(4-6-11)14-15-10(8-19-14)7-12(18-2)13(15)16/h3-6,10,12,14H,7-8H2,1-2H3.
What are the key properties of 6-methoxy-3-(4-methoxyphenyl)-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
6-methoxy-3-(4-methoxyphenyl)-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one has a molecular weight of 263.29 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-(4-methoxyphenyl)-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one is sourced from PubChem (CID 142734609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).