N-[[(3aR,6aR)-5-benzyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide

C19H23N3O3 — CID 97420711

IUPACN-[[(3aR,6aR)-5-benzyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)NC[C@]12COC[C@H]1CN(Cc1ccccc1)C2
InChIInChI=1S/C19H23N3O3/c1-14-17(7-21-25-14)18(23)20-11-19-12-22(9-16(19)10-24-13-19)8-15-5-3-2-4-6-15/h2-7,16H,8-13H2,1H3,(H,20,23)/t16-,19+/m1/s1
InChIKeyLAQJEVPVWITPET-APWZRJJASA-N
MW341.41 g/mol
LogP1.86
Rot. Bonds5

About N-[[(3aR,6aR)-5-benzyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide

N-[[(3aR,6aR)-5-benzyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 97420711) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[[(3aR,6aR)-5-benzyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(3aR,6aR)-5-benzyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID97420711
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[[(3aR,6aR)-5-benzyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)NC[C@]12COC[C@H]1CN(Cc1ccccc1)C2
InChIInChI=1S/C19H23N3O3/c1-14-17(7-21-25-14)18(23)20-11-19-12-22(9-16(19)10-24-13-19)8-15-5-3-2-4-6-15/h2-7,16H,8-13H2,1H3,(H,20,23)/t16-,19+/m1/s1
InChIKeyLAQJEVPVWITPET-APWZRJJASA-N
XLogP1.86
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(3aR,6aR)-5-benzyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(3aR,6aR)-5-benzyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[[(3aR,6aR)-5-benzyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 97420711) is N-[[(3aR,6aR)-5-benzyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[[(3aR,6aR)-5-benzyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[[(3aR,6aR)-5-benzyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)NC[C@]12COC[C@H]1CN(Cc1ccccc1)C2.
What is the InChIKey of N-[[(3aR,6aR)-5-benzyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is LAQJEVPVWITPET-APWZRJJASA-N. The full InChI is InChI=1S/C19H23N3O3/c1-14-17(7-21-25-14)18(23)20-11-19-12-22(9-16(19)10-24-13-19)8-15-5-3-2-4-6-15/h2-7,16H,8-13H2,1H3,(H,20,23)/t16-,19+/m1/s1.
What are the key properties of N-[[(3aR,6aR)-5-benzyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide?
N-[[(3aR,6aR)-5-benzyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3aR,6aR)-5-benzyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 97420711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).