2-[[(4aS,6S,7aS)-4-(furan-3-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]methoxy]-1-pyrrolidin-1-ylethanone

C19H28N2O4 — CID 124520979

IUPAC2-[[(4aS,6S,7aS)-4-(furan-3-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]methoxy]-1-pyrrolidin-1-ylethanone
SMILESO=C(COC[C@@H]1C[C@@H]2OCCN(Cc3ccoc3)[C@H]2C1)N1CCCC1
InChIInChI=1S/C19H28N2O4/c22-19(20-4-1-2-5-20)14-24-13-16-9-17-18(10-16)25-8-6-21(17)11-15-3-7-23-12-15/h3,7,12,16-18H,1-2,4-6,8-11,13-14H2/t16-,17-,18-/m0/s1
InChIKeyAEGTVJDZWDFFDG-BZSNNMDCSA-N
MW348.44 g/mol
LogP1.90
Rot. Bonds6

About 2-[[(4aS,6S,7aS)-4-(furan-3-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]methoxy]-1-pyrrolidin-1-ylethanone

2-[[(4aS,6S,7aS)-4-(furan-3-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]methoxy]-1-pyrrolidin-1-ylethanone (PubChem CID 124520979) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 2-[[(4aS,6S,7aS)-4-(furan-3-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]methoxy]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[[(4aS,6S,7aS)-4-(furan-3-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]methoxy]-1-pyrrolidin-1-ylethanone
PubChem CID124520979
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name2-[[(4aS,6S,7aS)-4-(furan-3-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]methoxy]-1-pyrrolidin-1-ylethanone
SMILESO=C(COC[C@@H]1C[C@@H]2OCCN(Cc3ccoc3)[C@H]2C1)N1CCCC1
InChIInChI=1S/C19H28N2O4/c22-19(20-4-1-2-5-20)14-24-13-16-9-17-18(10-16)25-8-6-21(17)11-15-3-7-23-12-15/h3,7,12,16-18H,1-2,4-6,8-11,13-14H2/t16-,17-,18-/m0/s1
InChIKeyAEGTVJDZWDFFDG-BZSNNMDCSA-N
XLogP1.90
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[(4aS,6S,7aS)-4-(furan-3-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]methoxy]-1-pyrrolidin-1-ylethanone with MolForge

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Launch Full Analysis

Related Compounds

2-[[4-(furan-2-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]methoxy]-1-pyrrolidin-1-ylethanone
CID 131649646
2-[[(4aS,6S,7aS)-4-(furan-2-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]methoxy]-1-pyrrolidin-1-ylethanone
CID 124522341
2-[[(4aR,6S,7aR)-4-(furan-2-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]methoxy]-1-pyrrolidin-1-ylethanone
CID 98779191
2-[[4-(furan-2-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]methoxy]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid
CID 155855617
(4aR,7aR)-4-(furan-3-ylmethyl)-6-(pyridin-2-yloxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine;bis(2,2,2-trifluoroacetic acid)
CID 127022679
N,N-dimethyl-2-[[4-[(1-methylpyrazol-4-yl)methyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]methoxy]acetamide
CID 131641887
2-[[(4aR,6S,7aS)-4-[(1-methylpyrazol-4-yl)methyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]methoxy]-N,N-dimethylacetamide
CID 98815906
(4aS,6S,7aR)-4-[(4-fluorophenyl)methyl]-6-(prop-2-enoxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 124522318
methyl 4-[[(4aS,6R,7aS)-6-(hydroxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]methyl]benzoate
CID 172896551
2-[[(4aR,6S,7aS)-4-(1,3-thiazol-2-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]methoxy]-N,N-dimethylacetamide
CID 124806966
[6-(pyridin-2-ylmethoxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-pyrrolidin-1-ylmethanone
CID 134071603
[(3aR,6R,7aR)-4-(furan-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-(4-methylpiperidin-1-yl)methanone
CID 97362944

Frequently Asked Questions

What is the IUPAC name of 2-[[(4aS,6S,7aS)-4-(furan-3-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]methoxy]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[[(4aS,6S,7aS)-4-(furan-3-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]methoxy]-1-pyrrolidin-1-ylethanone (CID 124520979) is 2-[[(4aS,6S,7aS)-4-(furan-3-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]methoxy]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[[(4aS,6S,7aS)-4-(furan-3-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]methoxy]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[[(4aS,6S,7aS)-4-(furan-3-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]methoxy]-1-pyrrolidin-1-ylethanone is O=C(COC[C@@H]1C[C@@H]2OCCN(Cc3ccoc3)[C@H]2C1)N1CCCC1.
What is the InChIKey of 2-[[(4aS,6S,7aS)-4-(furan-3-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]methoxy]-1-pyrrolidin-1-ylethanone?
The InChIKey is AEGTVJDZWDFFDG-BZSNNMDCSA-N. The full InChI is InChI=1S/C19H28N2O4/c22-19(20-4-1-2-5-20)14-24-13-16-9-17-18(10-16)25-8-6-21(17)11-15-3-7-23-12-15/h3,7,12,16-18H,1-2,4-6,8-11,13-14H2/t16-,17-,18-/m0/s1.
What are the key properties of 2-[[(4aS,6S,7aS)-4-(furan-3-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]methoxy]-1-pyrrolidin-1-ylethanone?
2-[[(4aS,6S,7aS)-4-(furan-3-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]methoxy]-1-pyrrolidin-1-ylethanone has a molecular weight of 348.44 g/mol, XLogP of 1.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4aS,6S,7aS)-4-(furan-3-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]methoxy]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 124520979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).