5-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c][1,2]oxazole

C12H15ClN2O — CID 134073320

IUPAC5-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c][1,2]oxazole
SMILESClc1ccc(CN2CC3CONC3C2)cc1
InChIInChI=1S/C12H15ClN2O/c13-11-3-1-9(2-4-11)5-15-6-10-8-16-14-12(10)7-15/h1-4,10,12,14H,5-8H2
InChIKeyGYLJVFMCMVGDEE-UHFFFAOYSA-N
MW238.72 g/mol
LogP1.68
Rot. Bonds2

About 5-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c][1,2]oxazole

5-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c][1,2]oxazole (PubChem CID 134073320) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c][1,2]oxazole.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c][1,2]oxazole
PubChem CID134073320
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name5-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c][1,2]oxazole
SMILESClc1ccc(CN2CC3CONC3C2)cc1
InChIInChI=1S/C12H15ClN2O/c13-11-3-1-9(2-4-11)5-15-6-10-8-16-14-12(10)7-15/h1-4,10,12,14H,5-8H2
InChIKeyGYLJVFMCMVGDEE-UHFFFAOYSA-N
XLogP1.68
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c][1,2]oxazole?
The IUPAC name of 5-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c][1,2]oxazole (CID 134073320) is 5-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c][1,2]oxazole.
What is the SMILES notation for 5-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c][1,2]oxazole?
The canonical SMILES for 5-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c][1,2]oxazole is Clc1ccc(CN2CC3CONC3C2)cc1.
What is the InChIKey of 5-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c][1,2]oxazole?
The InChIKey is GYLJVFMCMVGDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c13-11-3-1-9(2-4-11)5-15-6-10-8-16-14-12(10)7-15/h1-4,10,12,14H,5-8H2.
What are the key properties of 5-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c][1,2]oxazole?
5-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c][1,2]oxazole has a molecular weight of 238.72 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c][1,2]oxazole is sourced from PubChem (CID 134073320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).