(3aR,6aS)-3a-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-[(2-methoxy-3-pyridinyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole

C19H24N4O3 — CID 124789302

IUPAC(3aR,6aS)-3a-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-[(2-methoxy-3-pyridinyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
SMILESCOc1ncccc1CN1C[C@H]2COC[C@@]2(Cc2nnc(C3CC3)o2)C1
InChIInChI=1S/C19H24N4O3/c1-24-17-14(3-2-6-20-17)8-23-9-15-10-25-12-19(15,11-23)7-16-21-22-18(26-16)13-4-5-13/h2-3,6,13,15H,4-5,7-12H2,1H3/t15-,19+/m0/s1
InChIKeyDAFHHTIZCWBHIT-HNAYVOBHSA-N
MW356.43 g/mol
LogP2.04
Rot. Bonds6

About (3aR,6aS)-3a-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-[(2-methoxy-3-pyridinyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole

(3aR,6aS)-3a-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-[(2-methoxy-3-pyridinyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole (PubChem CID 124789302) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is (3aR,6aS)-3a-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-[(2-methoxy-3-pyridinyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole.

Molecular Properties

Compound Name(3aR,6aS)-3a-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-[(2-methoxy-3-pyridinyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
PubChem CID124789302
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name(3aR,6aS)-3a-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-[(2-methoxy-3-pyridinyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
SMILESCOc1ncccc1CN1C[C@H]2COC[C@@]2(Cc2nnc(C3CC3)o2)C1
InChIInChI=1S/C19H24N4O3/c1-24-17-14(3-2-6-20-17)8-23-9-15-10-25-12-19(15,11-23)7-16-21-22-18(26-16)13-4-5-13/h2-3,6,13,15H,4-5,7-12H2,1H3/t15-,19+/m0/s1
InChIKeyDAFHHTIZCWBHIT-HNAYVOBHSA-N
XLogP2.04
TPSA73.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3aR,6aS)-3a-(methoxymethyl)-5-[(2-methoxy-3-pyridinyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 125187202
(3aS,6aR)-3a-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-(pyridin-3-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole;bis(2,2,2-trifluoroacetic acid)
CID 155847894
(3aS,6aR)-3a-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 97474891
(3aS,6aR)-3a-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-cyclopropylsulfonyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 97475888
(3aR,6aS)-3a-(methoxymethyl)-5-[(3-methoxy-2-pyridinyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 163314167
(3aR,6aS)-5-(1,3-benzodioxol-5-ylmethyl)-3a-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 124809898
(4S,9aR)-8-[(2-methoxy-3-pyridinyl)methyl]-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 155909707
2-[(2-methoxy-3-pyridinyl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81115965
1-[(2-methoxy-3-pyridinyl)methyl]piperidine-4-carbaldehyde
CID 22678407
(3aS,6aR)-2-[(2-methoxy-3-pyridinyl)methyl]-5-pyrimidin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 97457922
1-[(2-methoxy-3-pyridinyl)methyl]-3-methylpiperidin-4-ol
CID 114502539
N-[[5-[(2-methoxy-3-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide
CID 133137080

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-3a-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-[(2-methoxy-3-pyridinyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
The IUPAC name of (3aR,6aS)-3a-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-[(2-methoxy-3-pyridinyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole (CID 124789302) is (3aR,6aS)-3a-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-[(2-methoxy-3-pyridinyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole.
What is the SMILES notation for (3aR,6aS)-3a-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-[(2-methoxy-3-pyridinyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
The canonical SMILES for (3aR,6aS)-3a-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-[(2-methoxy-3-pyridinyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole is COc1ncccc1CN1C[C@H]2COC[C@@]2(Cc2nnc(C3CC3)o2)C1.
What is the InChIKey of (3aR,6aS)-3a-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-[(2-methoxy-3-pyridinyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
The InChIKey is DAFHHTIZCWBHIT-HNAYVOBHSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-24-17-14(3-2-6-20-17)8-23-9-15-10-25-12-19(15,11-23)7-16-21-22-18(26-16)13-4-5-13/h2-3,6,13,15H,4-5,7-12H2,1H3/t15-,19+/m0/s1.
What are the key properties of (3aR,6aS)-3a-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-[(2-methoxy-3-pyridinyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
(3aR,6aS)-3a-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-[(2-methoxy-3-pyridinyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole has a molecular weight of 356.43 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-3a-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-[(2-methoxy-3-pyridinyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole is sourced from PubChem (CID 124789302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).