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

C17H20N4O3 — CID 97420701

IUPACN-[[(3aR,6aR)-5-(pyridin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NC[C@]12COC[C@H]1CN(Cc1ccncc1)C2)c1ccno1
InChIInChI=1S/C17H20N4O3/c22-16(15-3-6-20-24-15)19-10-17-11-21(8-14(17)9-23-12-17)7-13-1-4-18-5-2-13/h1-6,14H,7-12H2,(H,19,22)/t14-,17+/m1/s1
InChIKeyTWIFGNZEEUEWEP-PBHICJAKSA-N
MW328.37 g/mol
LogP0.95
Rot. Bonds5

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

N-[[(3aR,6aR)-5-(pyridin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,2-oxazole-5-carboxamide (PubChem CID 97420701) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[[(3aR,6aR)-5-(pyridin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(3aR,6aR)-5-(pyridin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,2-oxazole-5-carboxamide
PubChem CID97420701
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC NameN-[[(3aR,6aR)-5-(pyridin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NC[C@]12COC[C@H]1CN(Cc1ccncc1)C2)c1ccno1
InChIInChI=1S/C17H20N4O3/c22-16(15-3-6-20-24-15)19-10-17-11-21(8-14(17)9-23-12-17)7-13-1-4-18-5-2-13/h1-6,14H,7-12H2,(H,19,22)/t14-,17+/m1/s1
InChIKeyTWIFGNZEEUEWEP-PBHICJAKSA-N
XLogP0.95
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of N-[[(3aR,6aR)-5-(pyridin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[[(3aR,6aR)-5-(pyridin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,2-oxazole-5-carboxamide (CID 97420701) is N-[[(3aR,6aR)-5-(pyridin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[[(3aR,6aR)-5-(pyridin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[[(3aR,6aR)-5-(pyridin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,2-oxazole-5-carboxamide is O=C(NC[C@]12COC[C@H]1CN(Cc1ccncc1)C2)c1ccno1.
What is the InChIKey of N-[[(3aR,6aR)-5-(pyridin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is TWIFGNZEEUEWEP-PBHICJAKSA-N. The full InChI is InChI=1S/C17H20N4O3/c22-16(15-3-6-20-24-15)19-10-17-11-21(8-14(17)9-23-12-17)7-13-1-4-18-5-2-13/h1-6,14H,7-12H2,(H,19,22)/t14-,17+/m1/s1.
What are the key properties of N-[[(3aR,6aR)-5-(pyridin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,2-oxazole-5-carboxamide?
N-[[(3aR,6aR)-5-(pyridin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3aR,6aR)-5-(pyridin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 97420701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).