2-[(3aS,6aS)-5-(cyclopentanecarbonyl)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C19H28N4O4 — CID 166612622

IUPAC2-[(3aS,6aS)-5-(cyclopentanecarbonyl)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN2C[C@H]3CN(C(=O)C4CCCC4)C[C@@]3(CO)C2)no1
InChIInChI=1S/C19H28N4O4/c1-13-6-16(21-27-13)20-17(25)9-22-7-15-8-23(11-19(15,10-22)12-24)18(26)14-4-2-3-5-14/h6,14-15,24H,2-5,7-12H2,1H3,(H,20,21,25)/t15-,19+/m0/s1
InChIKeyFZSHNSYKBOZEDO-HNAYVOBHSA-N
MW376.46 g/mol
LogP0.86
Rot. Bonds5

About 2-[(3aS,6aS)-5-(cyclopentanecarbonyl)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[(3aS,6aS)-5-(cyclopentanecarbonyl)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 166612622) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[(3aS,6aS)-5-(cyclopentanecarbonyl)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(3aS,6aS)-5-(cyclopentanecarbonyl)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID166612622
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC Name2-[(3aS,6aS)-5-(cyclopentanecarbonyl)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN2C[C@H]3CN(C(=O)C4CCCC4)C[C@@]3(CO)C2)no1
InChIInChI=1S/C19H28N4O4/c1-13-6-16(21-27-13)20-17(25)9-22-7-15-8-23(11-19(15,10-22)12-24)18(26)14-4-2-3-5-14/h6,14-15,24H,2-5,7-12H2,1H3,(H,20,21,25)/t15-,19+/m0/s1
InChIKeyFZSHNSYKBOZEDO-HNAYVOBHSA-N
XLogP0.86
TPSA98.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(3aS,6aS)-5-(cyclopentanecarbonyl)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide with MolForge

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Related Compounds

2-[2-(hydroxymethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 60684790
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 114779698
2-[4-(1-benzylpiperidine-3-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 60579845
ethyl 1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidine-3-carboxylate
CID 16554656
2-(2,6-dimethylmorpholin-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4882751
2-(4-benzoylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 9223107
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
CID 119933945
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
CID 120776067
2-[(3S)-3-acetamidopiperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 94190647
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 91839248
1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441827
4-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 63124886

Frequently Asked Questions

What is the IUPAC name of 2-[(3aS,6aS)-5-(cyclopentanecarbonyl)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[(3aS,6aS)-5-(cyclopentanecarbonyl)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 166612622) is 2-[(3aS,6aS)-5-(cyclopentanecarbonyl)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[(3aS,6aS)-5-(cyclopentanecarbonyl)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[(3aS,6aS)-5-(cyclopentanecarbonyl)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CN2C[C@H]3CN(C(=O)C4CCCC4)C[C@@]3(CO)C2)no1.
What is the InChIKey of 2-[(3aS,6aS)-5-(cyclopentanecarbonyl)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is FZSHNSYKBOZEDO-HNAYVOBHSA-N. The full InChI is InChI=1S/C19H28N4O4/c1-13-6-16(21-27-13)20-17(25)9-22-7-15-8-23(11-19(15,10-22)12-24)18(26)14-4-2-3-5-14/h6,14-15,24H,2-5,7-12H2,1H3,(H,20,21,25)/t15-,19+/m0/s1.
What are the key properties of 2-[(3aS,6aS)-5-(cyclopentanecarbonyl)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[(3aS,6aS)-5-(cyclopentanecarbonyl)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 376.46 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aS,6aS)-5-(cyclopentanecarbonyl)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 166612622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).