methyl (3aS,6aS)-5-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylate

C18H20N4O5 — CID 162635354

IUPACmethyl (3aS,6aS)-5-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylate
SMILESCOC(=O)[C@@]12COC[C@@H]1CN(C(=O)CCc1nc(-c3ccncc3)no1)C2
InChIInChI=1S/C18H20N4O5/c1-25-17(24)18-10-22(8-13(18)9-26-11-18)15(23)3-2-14-20-16(21-27-14)12-4-6-19-7-5-12/h4-7,13H,2-3,8-11H2,1H3/t13-,18-/m0/s1
InChIKeyPLTCYVWIOASQJO-UGSOOPFHSA-N
MW372.38 g/mol
LogP0.71
Rot. Bonds5

About methyl (3aS,6aS)-5-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylate

methyl (3aS,6aS)-5-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylate (PubChem CID 162635354) has the molecular formula C18H20N4O5 and a molecular weight of 372.38 g/mol. Its IUPAC name is methyl (3aS,6aS)-5-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylate.

Molecular Properties

Compound Namemethyl (3aS,6aS)-5-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylate
PubChem CID162635354
Molecular FormulaC18H20N4O5
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC Namemethyl (3aS,6aS)-5-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylate
SMILESCOC(=O)[C@@]12COC[C@@H]1CN(C(=O)CCc1nc(-c3ccncc3)no1)C2
InChIInChI=1S/C18H20N4O5/c1-25-17(24)18-10-22(8-13(18)9-26-11-18)15(23)3-2-14-20-16(21-27-14)12-4-6-19-7-5-12/h4-7,13H,2-3,8-11H2,1H3/t13-,18-/m0/s1
InChIKeyPLTCYVWIOASQJO-UGSOOPFHSA-N
XLogP0.71
TPSA107.65 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl (3aS,6aS)-5-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylate with MolForge

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Related Compounds

(3aR,6aR)-5-[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid
CID 139599744
1-[(3R,4S)-4-hydroxy-1-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 157014399
3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 43042917
2-[(3S)-4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]morpholin-3-yl]acetic acid
CID 95882575
1-[3-(hydroxymethyl)piperidin-1-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 110886801
(2S,4S)-4-amino-N-ethyl-1-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]pyrrolidine-2-carboxamide
CID 70764212
methyl (3aS,6aS)-5-[2-[4-(tetrazol-1-yl)phenyl]acetyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylate
CID 162633310
1-[3-(2-fluorophenyl)pyrrolidin-1-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 70722217
(3aS,6aR)-2-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120683373
1-[(3S,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 164699921
methyl (3aS,6aS)-5-(3-cyclopropyl-1,2-oxazole-5-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylate
CID 162630487
1-[2-(aminomethyl)piperidin-1-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 119467189

Frequently Asked Questions

What is the IUPAC name of methyl (3aS,6aS)-5-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylate?
The IUPAC name of methyl (3aS,6aS)-5-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylate (CID 162635354) is methyl (3aS,6aS)-5-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylate.
What is the SMILES notation for methyl (3aS,6aS)-5-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylate?
The canonical SMILES for methyl (3aS,6aS)-5-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylate is COC(=O)[C@@]12COC[C@@H]1CN(C(=O)CCc1nc(-c3ccncc3)no1)C2.
What is the InChIKey of methyl (3aS,6aS)-5-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylate?
The InChIKey is PLTCYVWIOASQJO-UGSOOPFHSA-N. The full InChI is InChI=1S/C18H20N4O5/c1-25-17(24)18-10-22(8-13(18)9-26-11-18)15(23)3-2-14-20-16(21-27-14)12-4-6-19-7-5-12/h4-7,13H,2-3,8-11H2,1H3/t13-,18-/m0/s1.
What are the key properties of methyl (3aS,6aS)-5-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylate?
methyl (3aS,6aS)-5-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylate has a molecular weight of 372.38 g/mol, XLogP of 0.71, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3aS,6aS)-5-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylate is sourced from PubChem (CID 162635354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).