(1S,5S,6R)-N-(furan-2-ylmethyl)-3-(2-hydroxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide

C14H20N2O4 — CID 124787804

IUPAC(1S,5S,6R)-N-(furan-2-ylmethyl)-3-(2-hydroxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
SMILESO=C(NCc1ccco1)[C@@H]1C[C@H]2CN(CCO)C[C@H]1O2
InChIInChI=1S/C14H20N2O4/c17-4-3-16-8-11-6-12(13(9-16)20-11)14(18)15-7-10-2-1-5-19-10/h1-2,5,11-13,17H,3-4,6-9H2,(H,15,18)/t11-,12+,13+/m0/s1
InChIKeyVFZNECMHFATPMG-YNEHKIRRSA-N
MW280.32 g/mol
LogP-0.02
Rot. Bonds5

About (1S,5S,6R)-N-(furan-2-ylmethyl)-3-(2-hydroxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide

(1S,5S,6R)-N-(furan-2-ylmethyl)-3-(2-hydroxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide (PubChem CID 124787804) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is (1S,5S,6R)-N-(furan-2-ylmethyl)-3-(2-hydroxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide.

Molecular Properties

Compound Name(1S,5S,6R)-N-(furan-2-ylmethyl)-3-(2-hydroxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
PubChem CID124787804
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name(1S,5S,6R)-N-(furan-2-ylmethyl)-3-(2-hydroxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
SMILESO=C(NCc1ccco1)[C@@H]1C[C@H]2CN(CCO)C[C@H]1O2
InChIInChI=1S/C14H20N2O4/c17-4-3-16-8-11-6-12(13(9-16)20-11)14(18)15-7-10-2-1-5-19-10/h1-2,5,11-13,17H,3-4,6-9H2,(H,15,18)/t11-,12+,13+/m0/s1
InChIKeyVFZNECMHFATPMG-YNEHKIRRSA-N
XLogP-0.02
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1R,5S,6R)-N-(furan-2-ylmethyl)-3-[(6-methyl-2-pyridinyl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 98780452
N-(furan-2-ylmethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 9102139
(1S,5S,6R)-N-(cyclopropylmethyl)-3-(2-phenylethyl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 98779847
(2R,3aS,7aR)-6-(cyclopropylmethyl)-N-(furan-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366977
(1R,5S,6R)-3-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 124790206
(1S,5S,6R)-N,3-bis(pyridin-3-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 98780019
(1S,5R,6R)-N-benzyl-3-[(1-methylpyrazol-4-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 133143196
(2S,3aR,7aS)-N-(furan-2-ylmethyl)-6-(oxan-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 124782657
N-(furan-2-ylmethyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131808
(1S,5S,6R)-3-(cyclopropylmethyl)-N-(pyridin-3-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 98780052
(2S,3aR,7aR)-6-[(3,4-difluorophenyl)methyl]-N-(furan-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 155875490
trans-(1S,3S)-1-N,3-N-bis(furan-2-ylmethyl)cyclohexane-1,3-dicarboxamide
CID 94798892

Frequently Asked Questions

What is the IUPAC name of (1S,5S,6R)-N-(furan-2-ylmethyl)-3-(2-hydroxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide?
The IUPAC name of (1S,5S,6R)-N-(furan-2-ylmethyl)-3-(2-hydroxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide (CID 124787804) is (1S,5S,6R)-N-(furan-2-ylmethyl)-3-(2-hydroxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide.
What is the SMILES notation for (1S,5S,6R)-N-(furan-2-ylmethyl)-3-(2-hydroxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide?
The canonical SMILES for (1S,5S,6R)-N-(furan-2-ylmethyl)-3-(2-hydroxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide is O=C(NCc1ccco1)[C@@H]1C[C@H]2CN(CCO)C[C@H]1O2.
What is the InChIKey of (1S,5S,6R)-N-(furan-2-ylmethyl)-3-(2-hydroxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide?
The InChIKey is VFZNECMHFATPMG-YNEHKIRRSA-N. The full InChI is InChI=1S/C14H20N2O4/c17-4-3-16-8-11-6-12(13(9-16)20-11)14(18)15-7-10-2-1-5-19-10/h1-2,5,11-13,17H,3-4,6-9H2,(H,15,18)/t11-,12+,13+/m0/s1.
What are the key properties of (1S,5S,6R)-N-(furan-2-ylmethyl)-3-(2-hydroxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide?
(1S,5S,6R)-N-(furan-2-ylmethyl)-3-(2-hydroxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide has a molecular weight of 280.32 g/mol, XLogP of -0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S,6R)-N-(furan-2-ylmethyl)-3-(2-hydroxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide is sourced from PubChem (CID 124787804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).