[(1S,5S,6R,7R)-6-(hydroxymethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone

C21H23NO5 — CID 154819873

IUPAC[(1S,5S,6R,7R)-6-(hydroxymethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone
SMILESCOc1ccc(-c2ccc(C(=O)N3C[C@@H]4[C@H](CO)[C@H]5CC[C@]4(C3)O5)o2)cc1
InChIInChI=1S/C21H23NO5/c1-25-14-4-2-13(3-5-14)17-6-7-19(26-17)20(24)22-10-16-15(11-23)18-8-9-21(16,12-22)27-18/h2-7,15-16,18,23H,8-12H2,1H3/t15-,16+,18+,21+/m0/s1
InChIKeySPGKQUANQUOHGQ-LTVCHDBBSA-N
MW369.42 g/mol
LogP2.57
Rot. Bonds4

About [(1S,5S,6R,7R)-6-(hydroxymethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone

[(1S,5S,6R,7R)-6-(hydroxymethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone (PubChem CID 154819873) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is [(1S,5S,6R,7R)-6-(hydroxymethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone.

Molecular Properties

Compound Name[(1S,5S,6R,7R)-6-(hydroxymethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone
PubChem CID154819873
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Name[(1S,5S,6R,7R)-6-(hydroxymethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone
SMILESCOc1ccc(-c2ccc(C(=O)N3C[C@@H]4[C@H](CO)[C@H]5CC[C@]4(C3)O5)o2)cc1
InChIInChI=1S/C21H23NO5/c1-25-14-4-2-13(3-5-14)17-6-7-19(26-17)20(24)22-10-16-15(11-23)18-8-9-21(16,12-22)27-18/h2-7,15-16,18,23H,8-12H2,1H3/t15-,16+,18+,21+/m0/s1
InChIKeySPGKQUANQUOHGQ-LTVCHDBBSA-N
XLogP2.57
TPSA72.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(1S,5S,6R,7R)-6-(hydroxymethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1S,5S,6R,7R)-6-(hydroxymethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-[3-(3-methoxyphenyl)phenyl]methanone
CID 154820850
4-methoxy-N-[[(1S,5S,6R,7R)-3-methyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide
CID 155497915
1-[(1S,5S,6R,7R)-6-(hydroxymethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-3-(2-methoxyphenyl)propan-1-one
CID 155912226
1-[(1S,5S,6R,7R)-6-(hydroxymethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-2-naphthalen-2-yloxyethanone
CID 155915142
N-[[(1S,5S,6R,7R)-3-[[4-(5-methylfuran-2-yl)phenyl]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide
CID 155492252
[(1S,5S,6R,7R)-6-(hydroxymethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-[3-(trifluoromethoxy)phenyl]methanone
CID 154823246
[5-(4-methoxyphenyl)furan-2-yl]-pyrrolidin-1-ylmethanone
CID 53015377
[5-(4-methoxyphenyl)furan-2-yl]-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
CID 56721031
[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone
CID 70706506
N-[[(1S,5S,6R,7R)-3-(cyclobutylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methoxybenzamide
CID 155509236
[3-(4-methoxyanilino)piperidin-1-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone
CID 45204907
[(1S,5S,6R,7R)-3-[(1-methylindol-5-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol
CID 155910935

Frequently Asked Questions

What is the IUPAC name of [(1S,5S,6R,7R)-6-(hydroxymethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone?
The IUPAC name of [(1S,5S,6R,7R)-6-(hydroxymethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone (CID 154819873) is [(1S,5S,6R,7R)-6-(hydroxymethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone.
What is the SMILES notation for [(1S,5S,6R,7R)-6-(hydroxymethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone?
The canonical SMILES for [(1S,5S,6R,7R)-6-(hydroxymethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone is COc1ccc(-c2ccc(C(=O)N3C[C@@H]4[C@H](CO)[C@H]5CC[C@]4(C3)O5)o2)cc1.
What is the InChIKey of [(1S,5S,6R,7R)-6-(hydroxymethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone?
The InChIKey is SPGKQUANQUOHGQ-LTVCHDBBSA-N. The full InChI is InChI=1S/C21H23NO5/c1-25-14-4-2-13(3-5-14)17-6-7-19(26-17)20(24)22-10-16-15(11-23)18-8-9-21(16,12-22)27-18/h2-7,15-16,18,23H,8-12H2,1H3/t15-,16+,18+,21+/m0/s1.
What are the key properties of [(1S,5S,6R,7R)-6-(hydroxymethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone?
[(1S,5S,6R,7R)-6-(hydroxymethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone has a molecular weight of 369.42 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5S,6R,7R)-6-(hydroxymethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone is sourced from PubChem (CID 154819873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).