2-[1-[2-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]ethyl]-4,5-diphenyl-1,3-oxazole

C26H30N2O2 — CID 576206

IUPAC2-[1-[2-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]ethyl]-4,5-diphenyl-1,3-oxazole
SMILESCOCC1CC2CCCC2N1C(C)c1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C26H30N2O2/c1-18(28-22(17-29-2)16-21-14-9-15-23(21)28)26-27-24(19-10-5-3-6-11-19)25(30-26)20-12-7-4-8-13-20/h3-8,10-13,18,21-23H,9,14-17H2,1-2H3
InChIKeyRYIFACOHNLKJAF-UHFFFAOYSA-N
MW402.54 g/mol
LogP5.96
Rot. Bonds6

About 2-[1-[2-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]ethyl]-4,5-diphenyl-1,3-oxazole

2-[1-[2-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]ethyl]-4,5-diphenyl-1,3-oxazole (PubChem CID 576206) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is 2-[1-[2-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]ethyl]-4,5-diphenyl-1,3-oxazole.

Molecular Properties

Compound Name2-[1-[2-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]ethyl]-4,5-diphenyl-1,3-oxazole
PubChem CID576206
Molecular FormulaC26H30N2O2
Molecular Weight402.54 g/mol
Exact Mass402.23
IUPAC Name2-[1-[2-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]ethyl]-4,5-diphenyl-1,3-oxazole
SMILESCOCC1CC2CCCC2N1C(C)c1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C26H30N2O2/c1-18(28-22(17-29-2)16-21-14-9-15-23(21)28)26-27-24(19-10-5-3-6-11-19)25(30-26)20-12-7-4-8-13-20/h3-8,10-13,18,21-23H,9,14-17H2,1-2H3
InChIKeyRYIFACOHNLKJAF-UHFFFAOYSA-N
XLogP5.96
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]ethyl]-4,5-diphenyl-1,3-oxazole?
The IUPAC name of 2-[1-[2-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]ethyl]-4,5-diphenyl-1,3-oxazole (CID 576206) is 2-[1-[2-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]ethyl]-4,5-diphenyl-1,3-oxazole.
What is the SMILES notation for 2-[1-[2-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]ethyl]-4,5-diphenyl-1,3-oxazole?
The canonical SMILES for 2-[1-[2-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]ethyl]-4,5-diphenyl-1,3-oxazole is COCC1CC2CCCC2N1C(C)c1nc(-c2ccccc2)c(-c2ccccc2)o1.
What is the InChIKey of 2-[1-[2-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]ethyl]-4,5-diphenyl-1,3-oxazole?
The InChIKey is RYIFACOHNLKJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O2/c1-18(28-22(17-29-2)16-21-14-9-15-23(21)28)26-27-24(19-10-5-3-6-11-19)25(30-26)20-12-7-4-8-13-20/h3-8,10-13,18,21-23H,9,14-17H2,1-2H3.
What are the key properties of 2-[1-[2-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]ethyl]-4,5-diphenyl-1,3-oxazole?
2-[1-[2-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]ethyl]-4,5-diphenyl-1,3-oxazole has a molecular weight of 402.54 g/mol, XLogP of 5.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]ethyl]-4,5-diphenyl-1,3-oxazole is sourced from PubChem (CID 576206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).