[(4aR,7S,7aR)-7-ethoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(7-methoxy-1-benzofuran-2-yl)methanone

C19H23NO5 — CID 134690177

IUPAC[(4aR,7S,7aR)-7-ethoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(7-methoxy-1-benzofuran-2-yl)methanone
SMILESCCO[C@H]1CC[C@@H]2[C@H]1OCCN2C(=O)c1cc2cccc(OC)c2o1
InChIInChI=1S/C19H23NO5/c1-3-23-15-8-7-13-18(15)24-10-9-20(13)19(21)16-11-12-5-4-6-14(22-2)17(12)25-16/h4-6,11,13,15,18H,3,7-10H2,1-2H3/t13-,15+,18-/m1/s1
InChIKeySMDASVHPJJAXQZ-QIIPPGSGSA-N
MW345.40 g/mol
LogP2.85
Rot. Bonds4

About [(4aR,7S,7aR)-7-ethoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(7-methoxy-1-benzofuran-2-yl)methanone

[(4aR,7S,7aR)-7-ethoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(7-methoxy-1-benzofuran-2-yl)methanone (PubChem CID 134690177) has the molecular formula C19H23NO5 and a molecular weight of 345.40 g/mol. Its IUPAC name is [(4aR,7S,7aR)-7-ethoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(7-methoxy-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name[(4aR,7S,7aR)-7-ethoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(7-methoxy-1-benzofuran-2-yl)methanone
PubChem CID134690177
Molecular FormulaC19H23NO5
Molecular Weight345.40 g/mol
Exact Mass345.16
IUPAC Name[(4aR,7S,7aR)-7-ethoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(7-methoxy-1-benzofuran-2-yl)methanone
SMILESCCO[C@H]1CC[C@@H]2[C@H]1OCCN2C(=O)c1cc2cccc(OC)c2o1
InChIInChI=1S/C19H23NO5/c1-3-23-15-8-7-13-18(15)24-10-9-20(13)19(21)16-11-12-5-4-6-14(22-2)17(12)25-16/h4-6,11,13,15,18H,3,7-10H2,1-2H3/t13-,15+,18-/m1/s1
InChIKeySMDASVHPJJAXQZ-QIIPPGSGSA-N
XLogP2.85
TPSA61.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(4aR,7S,7aR)-7-ethoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(7-methoxy-1-benzofuran-2-yl)methanone with MolForge

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Related Compounds

[(4aR,7R,7aS)-7-prop-2-enoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(1-benzofuran-2-yl)methanone
CID 124869693
[(4aR,7R,7aS)-7-ethoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-quinolin-2-ylmethanone
CID 124826721
[(4aS,7R,7aR)-7-ethoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(6-methyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid
CID 155829669
[(4aR,7R,7aR)-7-ethoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(2,5-dimethyl-1H-pyrrol-3-yl)methanone
CID 133139635
[(4aR,7R,7aS)-7-ethoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(2,5-dimethyl-1H-pyrrol-3-yl)methanone
CID 133142735
(7-methoxy-1-benzofuran-2-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 121091409
1-[(4aS,7S,7aR)-7-ethoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-(1,3-benzodioxol-5-yl)ethanone
CID 97365821
[(4aS,7R,7aR)-7-ethoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(1-methylindazol-3-yl)methanone
CID 97365304
4-(7-methoxy-1-benzofuran-2-carbonyl)-3-propylpiperazin-2-one
CID 138996501
[(4aR,7R,7aS)-7-methoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-naphthalen-2-ylmethanone
CID 124792115
[(3aR,7R,7aR)-7-methoxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-(1-benzofuran-2-yl)methanone
CID 124788545
1-(7-methoxy-1-benzofuran-2-yl)propan-1-one
CID 65427049

Frequently Asked Questions

What is the IUPAC name of [(4aR,7S,7aR)-7-ethoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(7-methoxy-1-benzofuran-2-yl)methanone?
The IUPAC name of [(4aR,7S,7aR)-7-ethoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(7-methoxy-1-benzofuran-2-yl)methanone (CID 134690177) is [(4aR,7S,7aR)-7-ethoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(7-methoxy-1-benzofuran-2-yl)methanone.
What is the SMILES notation for [(4aR,7S,7aR)-7-ethoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(7-methoxy-1-benzofuran-2-yl)methanone?
The canonical SMILES for [(4aR,7S,7aR)-7-ethoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(7-methoxy-1-benzofuran-2-yl)methanone is CCO[C@H]1CC[C@@H]2[C@H]1OCCN2C(=O)c1cc2cccc(OC)c2o1.
What is the InChIKey of [(4aR,7S,7aR)-7-ethoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(7-methoxy-1-benzofuran-2-yl)methanone?
The InChIKey is SMDASVHPJJAXQZ-QIIPPGSGSA-N. The full InChI is InChI=1S/C19H23NO5/c1-3-23-15-8-7-13-18(15)24-10-9-20(13)19(21)16-11-12-5-4-6-14(22-2)17(12)25-16/h4-6,11,13,15,18H,3,7-10H2,1-2H3/t13-,15+,18-/m1/s1.
What are the key properties of [(4aR,7S,7aR)-7-ethoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(7-methoxy-1-benzofuran-2-yl)methanone?
[(4aR,7S,7aR)-7-ethoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(7-methoxy-1-benzofuran-2-yl)methanone has a molecular weight of 345.40 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR,7S,7aR)-7-ethoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(7-methoxy-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 134690177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).