2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide;hydrochloride

C12H19ClN4O2 — CID 120663870

IUPAC2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide;hydrochloride
SMILESCc1cc(NC(=O)CN2C[C@H]3CNC[C@H]3C2)on1.Cl
InChIInChI=1S/C12H18N4O2.ClH/c1-8-2-12(18-15-8)14-11(17)7-16-5-9-3-13-4-10(9)6-16;/h2,9-10,13H,3-7H2,1H3,(H,14,17);1H/t9-,10+;
InChIKeyBHIZOZXBTNOWIU-JMVWIVNTSA-N
MW286.76 g/mol
LogP0.49
Rot. Bonds3

About 2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide;hydrochloride

2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide;hydrochloride (PubChem CID 120663870) has the molecular formula C12H19ClN4O2 and a molecular weight of 286.76 g/mol. Its IUPAC name is 2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide;hydrochloride
PubChem CID120663870
Molecular FormulaC12H19ClN4O2
Molecular Weight286.76 g/mol
Exact Mass286.12
IUPAC Name2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide;hydrochloride
SMILESCc1cc(NC(=O)CN2C[C@H]3CNC[C@H]3C2)on1.Cl
InChIInChI=1S/C12H18N4O2.ClH/c1-8-2-12(18-15-8)14-11(17)7-16-5-9-3-13-4-10(9)6-16;/h2,9-10,13H,3-7H2,1H3,(H,14,17);1H/t9-,10+;
InChIKeyBHIZOZXBTNOWIU-JMVWIVNTSA-N
XLogP0.49
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide;hydrochloride with MolForge

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Related Compounds

2-(3,5-dimethylpiperazin-1-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide;hydrochloride
CID 119924199
N-(3-methyl-1,2-oxazol-5-yl)-2-piperazin-1-ylacetamide
CID 43130598
N-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylacetamide
CID 3045297
2-[3-(methylamino)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide;hydrochloride
CID 119920207
1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 55151558
2-(2,5-dimethylpiperazin-1-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 64980273
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 87037493
N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 16596717
methyl 1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylate
CID 113225035
N-(3-methyl-1,2-oxazol-5-yl)-2-(2,2,6-trimethylmorpholin-4-yl)acetamide
CID 48633243
2-[2-(aminomethyl)morpholin-4-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 114395286
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 63595182

Frequently Asked Questions

What is the IUPAC name of 2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide;hydrochloride?
The IUPAC name of 2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide;hydrochloride (CID 120663870) is 2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide;hydrochloride?
The canonical SMILES for 2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide;hydrochloride is Cc1cc(NC(=O)CN2C[C@H]3CNC[C@H]3C2)on1.Cl.
What is the InChIKey of 2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide;hydrochloride?
The InChIKey is BHIZOZXBTNOWIU-JMVWIVNTSA-N. The full InChI is InChI=1S/C12H18N4O2.ClH/c1-8-2-12(18-15-8)14-11(17)7-16-5-9-3-13-4-10(9)6-16;/h2,9-10,13H,3-7H2,1H3,(H,14,17);1H/t9-,10+;.
What are the key properties of 2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide;hydrochloride?
2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide;hydrochloride has a molecular weight of 286.76 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide;hydrochloride is sourced from PubChem (CID 120663870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).