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

C10H13N3O2 — CID 24945127

IUPAC2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1,2-oxazol-3-yl)methanone
SMILESO=C(c1ccon1)N1CC2CNCC2C1
InChIInChI=1S/C10H13N3O2/c14-10(9-1-2-15-12-9)13-5-7-3-11-4-8(7)6-13/h1-2,7-8,11H,3-6H2
InChIKeyTXWHMYDLPZCWIE-UHFFFAOYSA-N
MW207.23 g/mol
LogP-0.03
Rot. Bonds1

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

2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1,2-oxazol-3-yl)methanone (PubChem CID 24945127) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1,2-oxazol-3-yl)methanone
PubChem CID24945127
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1,2-oxazol-3-yl)methanone
SMILESO=C(c1ccon1)N1CC2CNCC2C1
InChIInChI=1S/C10H13N3O2/c14-10(9-1-2-15-12-9)13-5-7-3-11-4-8(7)6-13/h1-2,7-8,11H,3-6H2
InChIKeyTXWHMYDLPZCWIE-UHFFFAOYSA-N
XLogP-0.03
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,7-Diazabicyclo[3.3.1]nonan-3-yl(1,2-oxazol-3-yl)methanone
CID 24945384
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
N-[2-methyl-2-(1,2-oxazole-3-carbonylamino)butyl]-1,2-oxazole-3-carboxamide
CID 71918343
1-ethyl-N-(3-isoxazolylmethyl)-N-methyl-5-oxo-3-pyrrolidinecarboxamide
CID 72879217
N-[rel-(3R,4S)-4-cyclopropyl-1-(tetrahydro-2H-pyran-4-yl)-3-pyrrolidinyl]-3-isoxazolecarboxamide hydrochloride
CID 72909766
N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-1,2-oxazole-3-carboxamide
CID 60243389
9-(1,2-Oxazole-3-carbonyl)-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 127406584
N-[(2S)-4-methyl-1-pyrrolidin-1-ylpentan-2-yl]-1,2-oxazole-3-carboxamide
CID 137993278
N-[[(3R)-1-pent-2-ynylpiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 164642175
N-[(3S,4R)-4-methyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 140808748
N-(3-fluorocyclobutyl)-1,2-oxazole-3-carboxamide
CID 176235299
N-[(2S)-3-methyl-1-oxobutan-2-yl]-1,2-oxazole-3-carboxamide
CID 134855701

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(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(1,2-oxazol-3-yl)methanone (CID 24945127) is 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(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(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(1,2-oxazol-3-yl)methanone is O=C(c1ccon1)N1CC2CNCC2C1.
What is the InChIKey of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1,2-oxazol-3-yl)methanone?
The InChIKey is TXWHMYDLPZCWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c14-10(9-1-2-15-12-9)13-5-7-3-11-4-8(7)6-13/h1-2,7-8,11H,3-6H2.
What are the key properties of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1,2-oxazol-3-yl)methanone?
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1,2-oxazol-3-yl)methanone has a molecular weight of 207.23 g/mol, XLogP of -0.03, 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(1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 24945127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).