N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-3-methyl-1,2-oxazolidine-5-carboxamide

C18H32N4O3 — CID 153424151

IUPACN-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-3-methyl-1,2-oxazolidine-5-carboxamide
SMILESCCC1NC(C2CCC3C(CC[C@H]3NC(=O)C3CC(C)NO3)C2)NO1
InChIInChI=1S/C18H32N4O3/c1-3-16-20-17(22-25-16)12-4-6-13-11(9-12)5-7-14(13)19-18(23)15-8-10(2)21-24-15/h10-17,20-22H,3-9H2,1-2H3,(H,19,23)/t10?,11?,12?,13?,14-,15?,16?,17?/m1/s1
InChIKeyLBICJTKXOTUYAQ-UCGNMNKOSA-N
MW352.48 g/mol
LogP1.17
Rot. Bonds4

About N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-3-methyl-1,2-oxazolidine-5-carboxamide

N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-3-methyl-1,2-oxazolidine-5-carboxamide (PubChem CID 153424151) has the molecular formula C18H32N4O3 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-3-methyl-1,2-oxazolidine-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-3-methyl-1,2-oxazolidine-5-carboxamide
PubChem CID153424151
Molecular FormulaC18H32N4O3
Molecular Weight352.48 g/mol
Exact Mass352.25
IUPAC NameN-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-3-methyl-1,2-oxazolidine-5-carboxamide
SMILESCCC1NC(C2CCC3C(CC[C@H]3NC(=O)C3CC(C)NO3)C2)NO1
InChIInChI=1S/C18H32N4O3/c1-3-16-20-17(22-25-16)12-4-6-13-11(9-12)5-7-14(13)19-18(23)15-8-10(2)21-24-15/h10-17,20-22H,3-9H2,1-2H3,(H,19,23)/t10?,11?,12?,13?,14-,15?,16?,17?/m1/s1
InChIKeyLBICJTKXOTUYAQ-UCGNMNKOSA-N
XLogP1.17
TPSA83.65 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 51.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-3-methyl-1,2-oxazolidine-5-carboxamide with MolForge

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Related Compounds

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)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-5-methyl-1,3-diazinane-4-carboxamide
CID 153424105
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
4-acetyl-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]piperidine-2-carboxamide
CID 153424102
2-(difluoromethyl)-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]piperidine-4-carboxamide
CID 153424156
1-(2-hydroxyethyl)-N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-5-methylpyrazolidine-4-carboxamide
CID 153424196
2-(difluoromethyl)-N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]piperidine-4-carboxamide
CID 153424069
(1S)-5-(5-cyclopropyl-1,2,4-oxadiazolidin-3-yl)-N-(2-methylpiperidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-1-carboxamide
CID 162461365
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
(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
2-(difluoromethyl)-N-[(1R)-5-(5-methyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]piperidine-4-carboxamide
CID 153424206
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

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-3-methyl-1,2-oxazolidine-5-carboxamide?
The IUPAC name of N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-3-methyl-1,2-oxazolidine-5-carboxamide (CID 153424151) is N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-3-methyl-1,2-oxazolidine-5-carboxamide.
What is the SMILES notation for N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-3-methyl-1,2-oxazolidine-5-carboxamide?
The canonical SMILES for N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-3-methyl-1,2-oxazolidine-5-carboxamide is CCC1NC(C2CCC3C(CC[C@H]3NC(=O)C3CC(C)NO3)C2)NO1.
What is the InChIKey of N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-3-methyl-1,2-oxazolidine-5-carboxamide?
The InChIKey is LBICJTKXOTUYAQ-UCGNMNKOSA-N. The full InChI is InChI=1S/C18H32N4O3/c1-3-16-20-17(22-25-16)12-4-6-13-11(9-12)5-7-14(13)19-18(23)15-8-10(2)21-24-15/h10-17,20-22H,3-9H2,1-2H3,(H,19,23)/t10?,11?,12?,13?,14-,15?,16?,17?/m1/s1.
What are the key properties of N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-3-methyl-1,2-oxazolidine-5-carboxamide?
N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-3-methyl-1,2-oxazolidine-5-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 1.17, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-3-methyl-1,2-oxazolidine-5-carboxamide is sourced from PubChem (CID 153424151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).