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

C14H18N4O3 — CID 97422336

IUPAC(3aR,6aR)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
SMILESCc1cc(CN2C[C@@H]3COC[C@]3(c3nnc(C)o3)C2)no1
InChIInChI=1S/C14H18N4O3/c1-9-3-12(17-21-9)5-18-4-11-6-19-8-14(11,7-18)13-16-15-10(2)20-13/h3,11H,4-8H2,1-2H3/t11-,14-/m1/s1
InChIKeyLRWQYYQUENXBOP-BXUZGUMPSA-N
MW290.32 g/mol
LogP1.07
Rot. Bonds3

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

(3aR,6aR)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole (PubChem CID 97422336) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is (3aR,6aR)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole.

Molecular Properties

Compound Name(3aR,6aR)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
PubChem CID97422336
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name(3aR,6aR)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
SMILESCc1cc(CN2C[C@@H]3COC[C@]3(c3nnc(C)o3)C2)no1
InChIInChI=1S/C14H18N4O3/c1-9-3-12(17-21-9)5-18-4-11-6-19-8-14(11,7-18)13-16-15-10(2)20-13/h3,11H,4-8H2,1-2H3/t11-,14-/m1/s1
InChIKeyLRWQYYQUENXBOP-BXUZGUMPSA-N
XLogP1.07
TPSA77.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
The IUPAC name of (3aR,6aR)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole (CID 97422336) is (3aR,6aR)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole.
What is the SMILES notation for (3aR,6aR)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
The canonical SMILES for (3aR,6aR)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole is Cc1cc(CN2C[C@@H]3COC[C@]3(c3nnc(C)o3)C2)no1.
What is the InChIKey of (3aR,6aR)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
The InChIKey is LRWQYYQUENXBOP-BXUZGUMPSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-9-3-12(17-21-9)5-18-4-11-6-19-8-14(11,7-18)13-16-15-10(2)20-13/h3,11H,4-8H2,1-2H3/t11-,14-/m1/s1.
What are the key properties of (3aR,6aR)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
(3aR,6aR)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole has a molecular weight of 290.32 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole is sourced from PubChem (CID 97422336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).