(3S)-N-[(3S)-6-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-yl]-3-hydroxypyrrolidine-1-carboxamide

C17H30N4O4 — CID 153424074

IUPAC(3S)-N-[(3S)-6-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-yl]-3-hydroxypyrrolidine-1-carboxamide
SMILESCCC1NC(C2CCC3C(C2)OC[C@H]3NC(=O)N2CC[C@H](O)C2)NO1
InChIInChI=1S/C17H30N4O4/c1-2-15-19-16(20-25-15)10-3-4-12-13(9-24-14(12)7-10)18-17(23)21-6-5-11(22)8-21/h10-16,19-20,22H,2-9H2,1H3,(H,18,23)/t10?,11-,12?,13+,14?,15?,16?/m0/s1
InChIKeyMVDXHUYEWPPNLN-IUAXVYETSA-N
MW354.45 g/mol
LogP0.13
Rot. Bonds3

About (3S)-N-[(3S)-6-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-yl]-3-hydroxypyrrolidine-1-carboxamide

(3S)-N-[(3S)-6-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-yl]-3-hydroxypyrrolidine-1-carboxamide (PubChem CID 153424074) has the molecular formula C17H30N4O4 and a molecular weight of 354.45 g/mol. Its IUPAC name is (3S)-N-[(3S)-6-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-yl]-3-hydroxypyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(3S)-6-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-yl]-3-hydroxypyrrolidine-1-carboxamide
PubChem CID153424074
Molecular FormulaC17H30N4O4
Molecular Weight354.45 g/mol
Exact Mass354.23
IUPAC Name(3S)-N-[(3S)-6-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-yl]-3-hydroxypyrrolidine-1-carboxamide
SMILESCCC1NC(C2CCC3C(C2)OC[C@H]3NC(=O)N2CC[C@H](O)C2)NO1
InChIInChI=1S/C17H30N4O4/c1-2-15-19-16(20-25-15)10-3-4-12-13(9-24-14(12)7-10)18-17(23)21-6-5-11(22)8-21/h10-16,19-20,22H,2-9H2,1H3,(H,18,23)/t10?,11-,12?,13+,14?,15?,16?/m0/s1
InChIKeyMVDXHUYEWPPNLN-IUAXVYETSA-N
XLogP0.13
TPSA95.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 50.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (3S)-N-[(3S)-6-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-yl]-3-hydroxypyrrolidine-1-carboxamide with MolForge

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Related Compounds

N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-7-hydroxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-1-methylpyrazolidine-4-carboxamide
CID 153424093
N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-5-methyl-1,3-diazinane-4-carboxamide
CID 153424105
N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-5-methyl-1,3-oxazolidine-2-carboxamide
CID 147742193
N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-7-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-1-methylpyrazolidine-4-carboxamide
CID 153424177
N-cyclopropyl-3-hydroxypyrrolidine-1-carboxamide
CID 62916085
3-hydroxy-N-(2-propylcyclopropyl)piperidine-1-carboxamide
CID 111509409
3-methoxy-N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-1,2-oxazolidine-5-carboxamide
CID 153424059
3-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]pyrrolidine-1-carboxamide
CID 130609050
N-[(1R)-5-(5-cyclobutyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-1-methyl-6-oxopyridine-3-carboxamide
CID 153424145
[4-(ethylamino)oxolan-3-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 107217226
4-[(3-hydroxypiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 66240354
(3R)-3-hydroxy-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]piperidine-1-carboxamide
CID 129320761

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(3S)-6-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-yl]-3-hydroxypyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-[(3S)-6-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-yl]-3-hydroxypyrrolidine-1-carboxamide (CID 153424074) is (3S)-N-[(3S)-6-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-yl]-3-hydroxypyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[(3S)-6-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-yl]-3-hydroxypyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-[(3S)-6-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-yl]-3-hydroxypyrrolidine-1-carboxamide is CCC1NC(C2CCC3C(C2)OC[C@H]3NC(=O)N2CC[C@H](O)C2)NO1.
What is the InChIKey of (3S)-N-[(3S)-6-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-yl]-3-hydroxypyrrolidine-1-carboxamide?
The InChIKey is MVDXHUYEWPPNLN-IUAXVYETSA-N. The full InChI is InChI=1S/C17H30N4O4/c1-2-15-19-16(20-25-15)10-3-4-12-13(9-24-14(12)7-10)18-17(23)21-6-5-11(22)8-21/h10-16,19-20,22H,2-9H2,1H3,(H,18,23)/t10?,11-,12?,13+,14?,15?,16?/m0/s1.
What are the key properties of (3S)-N-[(3S)-6-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-yl]-3-hydroxypyrrolidine-1-carboxamide?
(3S)-N-[(3S)-6-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-yl]-3-hydroxypyrrolidine-1-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 0.13, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(3S)-6-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-yl]-3-hydroxypyrrolidine-1-carboxamide is sourced from PubChem (CID 153424074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).