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

C17H28N4O2 — CID 97377322

IUPAC(2S,3aS,6aS)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H]2CN(Cc3c(C)noc3C)C[C@H]2N1C(C)C
InChIInChI=1S/C17H28N4O2/c1-10(2)21-15(17(22)18-5)6-13-7-20(9-16(13)21)8-14-11(3)19-23-12(14)4/h10,13,15-16H,6-9H2,1-5H3,(H,18,22)/t13-,15-,16+/m0/s1
InChIKeyPKWDQKBXRYOMLF-CWRNSKLLSA-N
MW320.44 g/mol
LogP1.32
Rot. Bonds4

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

(2S,3aS,6aS)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide (PubChem CID 97377322) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is (2S,3aS,6aS)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide.

Molecular Properties

Compound Name(2S,3aS,6aS)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
PubChem CID97377322
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name(2S,3aS,6aS)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H]2CN(Cc3c(C)noc3C)C[C@H]2N1C(C)C
InChIInChI=1S/C17H28N4O2/c1-10(2)21-15(17(22)18-5)6-13-7-20(9-16(13)21)8-14-11(3)19-23-12(14)4/h10,13,15-16H,6-9H2,1-5H3,(H,18,22)/t13-,15-,16+/m0/s1
InChIKeyPKWDQKBXRYOMLF-CWRNSKLLSA-N
XLogP1.32
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S,3aS,6aS)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-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

N'-{(3S*,4R*)-1-[(3,5-dimethyl-4-isoxazolyl)methyl]-4-isopropyl-3-pyrrolidinyl}-N,N-dimethylurea
CID 72875507
1-acetamido-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclohexane-1-carboxamide
CID 75461938
4-(((3AR,6aS)-hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)methyl)-3,5-dimethylisoxazole
CID 97053909
(2R,3aR,6aR)-1-acetyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
CID 97386187
(2R,3aS,6aS)-N-(cyclopropylmethyl)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
CID 97386944
N-cyclopentyl-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2-methylpyrrolidine-2-carboxamide
CID 110249133
N~2~-(aminocarbonyl)-N~1~-{(3R*,4S*)-1-[(3,5-dimethyl-4-isoxazolyl)methyl]-4-propyl-3-pyrrolidinyl}-N~2~-methylglycinamide
CID 72899792
[4-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 110876204
1-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]piperidine-2-carboxamide
CID 53506627
N~1~-[(3,5-dimethylisoxazol-4-yl)methyl]-D-leucinamide
CID 56875303
2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]-N,N-dimethylpropanamide
CID 86789519
2-cyclopropyl-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-pyrrolidin-1-ylacetamide
CID 86791131

Frequently Asked Questions

What is the IUPAC name of (2S,3aS,6aS)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide?
The IUPAC name of (2S,3aS,6aS)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide (CID 97377322) is (2S,3aS,6aS)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide.
What is the SMILES notation for (2S,3aS,6aS)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide?
The canonical SMILES for (2S,3aS,6aS)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide is CNC(=O)[C@@H]1C[C@H]2CN(Cc3c(C)noc3C)C[C@H]2N1C(C)C.
What is the InChIKey of (2S,3aS,6aS)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide?
The InChIKey is PKWDQKBXRYOMLF-CWRNSKLLSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-10(2)21-15(17(22)18-5)6-13-7-20(9-16(13)21)8-14-11(3)19-23-12(14)4/h10,13,15-16H,6-9H2,1-5H3,(H,18,22)/t13-,15-,16+/m0/s1.
What are the key properties of (2S,3aS,6aS)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide?
(2S,3aS,6aS)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aS,6aS)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide is sourced from PubChem (CID 97377322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).