5-(morpholin-4-ylmethyl)-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]furan-3-carboxamide

C16H22N2O4 — CID 91775055

IUPAC5-(morpholin-4-ylmethyl)-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]furan-3-carboxamide
SMILESO=C(N[C@@H]1C[C@@H]2OCC[C@@H]21)c1coc(CN2CCOCC2)c1
InChIInChI=1S/C16H22N2O4/c19-16(17-14-8-15-13(14)1-4-21-15)11-7-12(22-10-11)9-18-2-5-20-6-3-18/h7,10,13-15H,1-6,8-9H2,(H,17,19)/t13-,14-,15+/m1/s1
InChIKeyWYWOKUPLEHBYTB-KFWWJZLASA-N
MW306.36 g/mol
LogP1.02
Rot. Bonds4

About 5-(morpholin-4-ylmethyl)-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]furan-3-carboxamide

5-(morpholin-4-ylmethyl)-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]furan-3-carboxamide (PubChem CID 91775055) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 5-(morpholin-4-ylmethyl)-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]furan-3-carboxamide.

Molecular Properties

Compound Name5-(morpholin-4-ylmethyl)-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]furan-3-carboxamide
PubChem CID91775055
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name5-(morpholin-4-ylmethyl)-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]furan-3-carboxamide
SMILESO=C(N[C@@H]1C[C@@H]2OCC[C@@H]21)c1coc(CN2CCOCC2)c1
InChIInChI=1S/C16H22N2O4/c19-16(17-14-8-15-13(14)1-4-21-15)11-7-12(22-10-11)9-18-2-5-20-6-3-18/h7,10,13-15H,1-6,8-9H2,(H,17,19)/t13-,14-,15+/m1/s1
InChIKeyWYWOKUPLEHBYTB-KFWWJZLASA-N
XLogP1.02
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(morpholin-4-ylmethyl)-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]furan-3-carboxamide with MolForge

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Related Compounds

N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(morpholin-4-ylmethyl)furan-3-carboxamide
CID 74237393
N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(piperidin-1-ylmethyl)benzamide
CID 133268403
N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(pyrrol-1-ylmethyl)benzamide
CID 91780019
N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide
CID 72870218
N-(1-benzyl-5-oxopyrrolidin-3-yl)-5-(morpholin-4-ylmethyl)furan-3-carboxamide
CID 72905508
N-[2-(dimethylsulfamoyl)ethyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide
CID 74245817
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(morpholin-4-ylmethyl)furan-3-carboxamide
CID 72837823
5-[(4-ethylpiperidin-1-yl)methyl]furan-3-carbohydrazide
CID 63578224
[(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-[5-(morpholin-4-ylmethyl)furan-3-yl]methanone
CID 133118050
N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide
CID 125172950
N-[(S)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide
CID 126426149
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide
CID 97150277

Frequently Asked Questions

What is the IUPAC name of 5-(morpholin-4-ylmethyl)-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]furan-3-carboxamide?
The IUPAC name of 5-(morpholin-4-ylmethyl)-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]furan-3-carboxamide (CID 91775055) is 5-(morpholin-4-ylmethyl)-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]furan-3-carboxamide.
What is the SMILES notation for 5-(morpholin-4-ylmethyl)-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]furan-3-carboxamide?
The canonical SMILES for 5-(morpholin-4-ylmethyl)-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]furan-3-carboxamide is O=C(N[C@@H]1C[C@@H]2OCC[C@@H]21)c1coc(CN2CCOCC2)c1.
What is the InChIKey of 5-(morpholin-4-ylmethyl)-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]furan-3-carboxamide?
The InChIKey is WYWOKUPLEHBYTB-KFWWJZLASA-N. The full InChI is InChI=1S/C16H22N2O4/c19-16(17-14-8-15-13(14)1-4-21-15)11-7-12(22-10-11)9-18-2-5-20-6-3-18/h7,10,13-15H,1-6,8-9H2,(H,17,19)/t13-,14-,15+/m1/s1.
What are the key properties of 5-(morpholin-4-ylmethyl)-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]furan-3-carboxamide?
5-(morpholin-4-ylmethyl)-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]furan-3-carboxamide has a molecular weight of 306.36 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(morpholin-4-ylmethyl)-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]furan-3-carboxamide is sourced from PubChem (CID 91775055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).