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

C11H15N3O2 — CID 59268961

IUPAC2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CC3CNCC3C2)no1
InChIInChI=1S/C11H15N3O2/c1-7-2-10(13-16-7)11(15)14-5-8-3-12-4-9(8)6-14/h2,8-9,12H,3-6H2,1H3
InChIKeyMTBJRMGYTDKZKV-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.27
Rot. Bonds1

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

2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(5-methyl-1,2-oxazol-3-yl)methanone (PubChem CID 59268961) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(5-methyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(5-methyl-1,2-oxazol-3-yl)methanone
PubChem CID59268961
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CC3CNCC3C2)no1
InChIInChI=1S/C11H15N3O2/c1-7-2-10(13-16-7)11(15)14-5-8-3-12-4-9(8)6-14/h2,8-9,12H,3-6H2,1H3
InChIKeyMTBJRMGYTDKZKV-UHFFFAOYSA-N
XLogP0.27
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(5-methyl-1,2-oxazol-3-yl)methanone with MolForge

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Related Compounds

5-methyl-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-3-isoxazolecarboxamide
CID 2225426
N-cyclohexyl-5-isopropylisoxazole-3-carboxamide
CID 3243071
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1,2-oxazol-3-yl)methanone
CID 24945127
3,7-Diazabicyclo[3.3.1]nonan-3-yl-(5-methyl-1,2-oxazol-3-yl)methanone
CID 59268944
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3-methyl-1,2-oxazol-5-yl)methanone
CID 59268946
5-Methyl-N-(piperidin-4-yl)-1,2-oxazole-3-carboxamide
CID 43345754
N-[2-(1-cyclohexenyl)ethyl]-5-methyl-3-isoxazolecarboxamide
CID 2225132
N-(2-methylpropyl)-5-propyl-1,2-oxazole-3-carboxamide
CID 5309302
5-(Propan-2-YL)-N-propyl-1,2-oxazole-3-carboxamide
CID 6621383
[(1R)-3-methyl-1-[[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]acetyl]amino]butyl]boronic acid
CID 153186851
acs.jmedchem.1c00409_ST.702
CID 162533895
(5-Methyl-1,2-oxazol-3-yl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 53568339

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(5-methyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(5-methyl-1,2-oxazol-3-yl)methanone (CID 59268961) is 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(5-methyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(5-methyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(5-methyl-1,2-oxazol-3-yl)methanone is Cc1cc(C(=O)N2CC3CNCC3C2)no1.
What is the InChIKey of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(5-methyl-1,2-oxazol-3-yl)methanone?
The InChIKey is MTBJRMGYTDKZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7-2-10(13-16-7)11(15)14-5-8-3-12-4-9(8)6-14/h2,8-9,12H,3-6H2,1H3.
What are the key properties of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(5-methyl-1,2-oxazol-3-yl)methanone?
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(5-methyl-1,2-oxazol-3-yl)methanone has a molecular weight of 221.26 g/mol, XLogP of 0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(5-methyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 59268961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).