6-[[(3aR,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]pyridine-3-carbonitrile

C19H22N4O3 — CID 97421322

IUPAC6-[[(3aR,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]pyridine-3-carbonitrile
SMILESCc1noc(C)c1CN1C[C@@H]2COC[C@]2(COc2ccc(C#N)cn2)C1
InChIInChI=1S/C19H22N4O3/c1-13-17(14(2)26-22-13)8-23-7-16-9-24-11-19(16,10-23)12-25-18-4-3-15(5-20)6-21-18/h3-4,6,16H,7-12H2,1-2H3/t16-,19+/m1/s1
InChIKeyFNYHTHRIKUIDDV-APWZRJJASA-N
MW354.41 g/mol
LogP2.09
Rot. Bonds5

About 6-[[(3aR,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]pyridine-3-carbonitrile

6-[[(3aR,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]pyridine-3-carbonitrile (PubChem CID 97421322) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 6-[[(3aR,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[(3aR,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]pyridine-3-carbonitrile
PubChem CID97421322
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name6-[[(3aR,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]pyridine-3-carbonitrile
SMILESCc1noc(C)c1CN1C[C@@H]2COC[C@]2(COc2ccc(C#N)cn2)C1
InChIInChI=1S/C19H22N4O3/c1-13-17(14(2)26-22-13)8-23-7-16-9-24-11-19(16,10-23)12-25-18-4-3-15(5-20)6-21-18/h3-4,6,16H,7-12H2,1-2H3/t16-,19+/m1/s1
InChIKeyFNYHTHRIKUIDDV-APWZRJJASA-N
XLogP2.09
TPSA84.41 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[[(3aR,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]pyridine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[(3aR,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]pyridine-3-carbonitrile?
The IUPAC name of 6-[[(3aR,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]pyridine-3-carbonitrile (CID 97421322) is 6-[[(3aR,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[(3aR,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[(3aR,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]pyridine-3-carbonitrile is Cc1noc(C)c1CN1C[C@@H]2COC[C@]2(COc2ccc(C#N)cn2)C1.
What is the InChIKey of 6-[[(3aR,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]pyridine-3-carbonitrile?
The InChIKey is FNYHTHRIKUIDDV-APWZRJJASA-N. The full InChI is InChI=1S/C19H22N4O3/c1-13-17(14(2)26-22-13)8-23-7-16-9-24-11-19(16,10-23)12-25-18-4-3-15(5-20)6-21-18/h3-4,6,16H,7-12H2,1-2H3/t16-,19+/m1/s1.
What are the key properties of 6-[[(3aR,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]pyridine-3-carbonitrile?
6-[[(3aR,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]pyridine-3-carbonitrile has a molecular weight of 354.41 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3aR,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 97421322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).