1,2-oxazol-5-yl-[4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]methanone

C23H27N3O2 — CID 69113292

IUPAC1,2-oxazol-5-yl-[4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]methanone
SMILESO=C(c1ccno1)N1CC2CC=C(c3ccc(CCN4CCCC4)cc3)C2C1
InChIInChI=1S/C23H27N3O2/c27-23(22-9-11-24-28-22)26-15-19-7-8-20(21(19)16-26)18-5-3-17(4-6-18)10-14-25-12-1-2-13-25/h3-6,8-9,11,19,21H,1-2,7,10,12-16H2
InChIKeyVLQIVSHAODPOFX-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.49
Rot. Bonds5

About 1,2-oxazol-5-yl-[4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]methanone

1,2-oxazol-5-yl-[4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]methanone (PubChem CID 69113292) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 1,2-oxazol-5-yl-[4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]methanone.

Molecular Properties

Compound Name1,2-oxazol-5-yl-[4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]methanone
PubChem CID69113292
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name1,2-oxazol-5-yl-[4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]methanone
SMILESO=C(c1ccno1)N1CC2CC=C(c3ccc(CCN4CCCC4)cc3)C2C1
InChIInChI=1S/C23H27N3O2/c27-23(22-9-11-24-28-22)26-15-19-7-8-20(21(19)16-26)18-5-3-17(4-6-18)10-14-25-12-1-2-13-25/h3-6,8-9,11,19,21H,1-2,7,10,12-16H2
InChIKeyVLQIVSHAODPOFX-UHFFFAOYSA-N
XLogP3.49
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,2-oxazol-5-yl-[4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,2-oxazol-5-yl-[4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]methanone?
The IUPAC name of 1,2-oxazol-5-yl-[4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]methanone (CID 69113292) is 1,2-oxazol-5-yl-[4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]methanone.
What is the SMILES notation for 1,2-oxazol-5-yl-[4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]methanone?
The canonical SMILES for 1,2-oxazol-5-yl-[4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]methanone is O=C(c1ccno1)N1CC2CC=C(c3ccc(CCN4CCCC4)cc3)C2C1.
What is the InChIKey of 1,2-oxazol-5-yl-[4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]methanone?
The InChIKey is VLQIVSHAODPOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c27-23(22-9-11-24-28-22)26-15-19-7-8-20(21(19)16-26)18-5-3-17(4-6-18)10-14-25-12-1-2-13-25/h3-6,8-9,11,19,21H,1-2,7,10,12-16H2.
What are the key properties of 1,2-oxazol-5-yl-[4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]methanone?
1,2-oxazol-5-yl-[4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]methanone has a molecular weight of 377.49 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazol-5-yl-[4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]methanone is sourced from PubChem (CID 69113292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).