(3aR,6aR)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(2-methoxyacetyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide

C16H24N4O4 — CID 50977850

IUPAC(3aR,6aR)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(2-methoxyacetyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
SMILESCOCC(=O)N1C[C@H]2CNC[C@@]2(C(=O)NCc2c(C)noc2C)C1
InChIInChI=1S/C16H24N4O4/c1-10-13(11(2)24-19-10)5-18-15(22)16-8-17-4-12(16)6-20(9-16)14(21)7-23-3/h12,17H,4-9H2,1-3H3,(H,18,22)/t12-,16-/m1/s1
InChIKeyQUYWLZGOONXZFM-MLGOLLRUSA-N
MW336.39 g/mol
LogP-0.40
Rot. Bonds5

About (3aR,6aR)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(2-methoxyacetyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide

(3aR,6aR)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(2-methoxyacetyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide (PubChem CID 50977850) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is (3aR,6aR)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(2-methoxyacetyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide.

Molecular Properties

Compound Name(3aR,6aR)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(2-methoxyacetyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
PubChem CID50977850
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Name(3aR,6aR)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(2-methoxyacetyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
SMILESCOCC(=O)N1C[C@H]2CNC[C@@]2(C(=O)NCc2c(C)noc2C)C1
InChIInChI=1S/C16H24N4O4/c1-10-13(11(2)24-19-10)5-18-15(22)16-8-17-4-12(16)6-20(9-16)14(21)7-23-3/h12,17H,4-9H2,1-3H3,(H,18,22)/t12-,16-/m1/s1
InChIKeyQUYWLZGOONXZFM-MLGOLLRUSA-N
XLogP-0.40
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3aR,6aR)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(2-methoxyacetyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(((3AR,6aS)-hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)methyl)-3,5-dimethylisoxazole
CID 97053909
2-[[(3R,3aR,6aS)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]oxy]-N,N-dimethylacetamide
CID 98777266
(3S,4S)-N-cyclopropyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(methoxymethyl)pyrrolidine-3-carboxamide
CID 124052309
(3aR,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;2,2,2-trifluoroacetic acid
CID 155833292
(3aR,6aS)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(2-methoxyethyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one;2,2,2-trifluoroacetic acid
CID 155855229
1-[(3,5-Dimethyl-1,2-oxazol-4-YL)methyl]-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide
CID 124052125
N-[[(3aS,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-methoxyacetamide
CID 125238656
1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-ylidene]methyl]-N-(2-methoxyethyl)-3-methylpyrrolidine-3-carboxamide
CID 132457278
2-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]-7-(2-hydroxyacetyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 134077514
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methoxypropanamide
CID 47865997
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-propan-2-yloxyacetamide
CID 48147066
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 55150983

Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(2-methoxyacetyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide?
The IUPAC name of (3aR,6aR)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(2-methoxyacetyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide (CID 50977850) is (3aR,6aR)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(2-methoxyacetyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide.
What is the SMILES notation for (3aR,6aR)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(2-methoxyacetyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide?
The canonical SMILES for (3aR,6aR)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(2-methoxyacetyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide is COCC(=O)N1C[C@H]2CNC[C@@]2(C(=O)NCc2c(C)noc2C)C1.
What is the InChIKey of (3aR,6aR)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(2-methoxyacetyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide?
The InChIKey is QUYWLZGOONXZFM-MLGOLLRUSA-N. The full InChI is InChI=1S/C16H24N4O4/c1-10-13(11(2)24-19-10)5-18-15(22)16-8-17-4-12(16)6-20(9-16)14(21)7-23-3/h12,17H,4-9H2,1-3H3,(H,18,22)/t12-,16-/m1/s1.
What are the key properties of (3aR,6aR)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(2-methoxyacetyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide?
(3aR,6aR)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(2-methoxyacetyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide has a molecular weight of 336.39 g/mol, XLogP of -0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(2-methoxyacetyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide is sourced from PubChem (CID 50977850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).