2-[(3-methyl-1,2-oxazol-5-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine

C12H19N3O — CID 120966849

IUPAC2-[(3-methyl-1,2-oxazol-5-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
SMILESCc1cc(CN2CC3CCC(N)C3C2)on1
InChIInChI=1S/C12H19N3O/c1-8-4-10(16-14-8)6-15-5-9-2-3-12(13)11(9)7-15/h4,9,11-12H,2-3,5-7,13H2,1H3
InChIKeyRWFKWWMZBMEMBF-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.15
Rot. Bonds2

About 2-[(3-methyl-1,2-oxazol-5-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine

2-[(3-methyl-1,2-oxazol-5-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine (PubChem CID 120966849) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[(3-methyl-1,2-oxazol-5-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine.

Molecular Properties

Compound Name2-[(3-methyl-1,2-oxazol-5-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
PubChem CID120966849
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-[(3-methyl-1,2-oxazol-5-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
SMILESCc1cc(CN2CC3CCC(N)C3C2)on1
InChIInChI=1S/C12H19N3O/c1-8-4-10(16-14-8)6-15-5-9-2-3-12(13)11(9)7-15/h4,9,11-12H,2-3,5-7,13H2,1H3
InChIKeyRWFKWWMZBMEMBF-UHFFFAOYSA-N
XLogP1.15
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-1,2-oxazol-5-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
The IUPAC name of 2-[(3-methyl-1,2-oxazol-5-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine (CID 120966849) is 2-[(3-methyl-1,2-oxazol-5-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine.
What is the SMILES notation for 2-[(3-methyl-1,2-oxazol-5-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
The canonical SMILES for 2-[(3-methyl-1,2-oxazol-5-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine is Cc1cc(CN2CC3CCC(N)C3C2)on1.
What is the InChIKey of 2-[(3-methyl-1,2-oxazol-5-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
The InChIKey is RWFKWWMZBMEMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8-4-10(16-14-8)6-15-5-9-2-3-12(13)11(9)7-15/h4,9,11-12H,2-3,5-7,13H2,1H3.
What are the key properties of 2-[(3-methyl-1,2-oxazol-5-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
2-[(3-methyl-1,2-oxazol-5-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine has a molecular weight of 221.30 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-1,2-oxazol-5-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine is sourced from PubChem (CID 120966849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).