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

C13H15N5O2 — CID 97474010

IUPAC(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
SMILESCc1noc([C@]23COC[C@H]2CN(c2ncccn2)C3)n1
InChIInChI=1S/C13H15N5O2/c1-9-16-11(20-17-9)13-7-18(5-10(13)6-19-8-13)12-14-3-2-4-15-12/h2-4,10H,5-8H2,1H3/t10-,13-/m1/s1
InChIKeyBVKXPKXNFBAWKL-ZWNOBZJWSA-N
MW273.30 g/mol
LogP0.57
Rot. Bonds2

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

(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole (PubChem CID 97474010) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is (3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole.

Molecular Properties

Compound Name(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
PubChem CID97474010
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
SMILESCc1noc([C@]23COC[C@H]2CN(c2ncccn2)C3)n1
InChIInChI=1S/C13H15N5O2/c1-9-16-11(20-17-9)13-7-18(5-10(13)6-19-8-13)12-14-3-2-4-15-12/h2-4,10H,5-8H2,1H3/t10-,13-/m1/s1
InChIKeyBVKXPKXNFBAWKL-ZWNOBZJWSA-N
XLogP0.57
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 97473978
(3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 124807768
4-(3-Pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
CID 66240484
4-Methyl-4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
CID 66248951
Ethyl 3-methyl-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butanoate
CID 79475145
Ethyl 2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butanoate
CID 79475386
[(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrimidin-2-ylmethanone
CID 97422292
(3aS,6aR)-3a-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 97476162
[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-(1,2-oxazolidin-2-yl)methanone
CID 97477187
3-Methyl-5-(1-pyrimidin-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 110254289
[(3aS,6aS)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-(1,2-oxazolidin-2-yl)methanone
CID 124785710
(3aR,6aS)-3a-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 124805002

Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
The IUPAC name of (3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole (CID 97474010) is (3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole.
What is the SMILES notation for (3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
The canonical SMILES for (3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole is Cc1noc([C@]23COC[C@H]2CN(c2ncccn2)C3)n1.
What is the InChIKey of (3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
The InChIKey is BVKXPKXNFBAWKL-ZWNOBZJWSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-9-16-11(20-17-9)13-7-18(5-10(13)6-19-8-13)12-14-3-2-4-15-12/h2-4,10H,5-8H2,1H3/t10-,13-/m1/s1.
What are the key properties of (3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole has a molecular weight of 273.30 g/mol, XLogP of 0.57, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole is sourced from PubChem (CID 97474010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).