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

C18H32N4O3 — CID 147742193

IUPACN-[(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
SMILESCCC1NC(C2CCC3C(CC[C@H]3NC(=O)C3NCC(C)O3)C2)NO1
InChIInChI=1S/C18H32N4O3/c1-3-15-21-16(22-25-15)12-4-6-13-11(8-12)5-7-14(13)20-17(23)18-19-9-10(2)24-18/h10-16,18-19,21-22H,3-9H2,1-2H3,(H,20,23)/t10?,11?,12?,13?,14-,15?,16?,18?/m1/s1
InChIKeyMLBIFGYRQIVEKD-TYMJPPTCSA-N
MW352.48 g/mol
LogP0.82
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]-5-methyl-1,3-oxazolidine-2-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]-5-methyl-1,3-oxazolidine-2-carboxamide (PubChem CID 147742193) 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]-5-methyl-1,3-oxazolidine-2-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]-5-methyl-1,3-oxazolidine-2-carboxamide
PubChem CID147742193
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]-5-methyl-1,3-oxazolidine-2-carboxamide
SMILESCCC1NC(C2CCC3C(CC[C@H]3NC(=O)C3NCC(C)O3)C2)NO1
InChIInChI=1S/C18H32N4O3/c1-3-15-21-16(22-25-15)12-4-6-13-11(8-12)5-7-14(13)20-17(23)18-19-9-10(2)24-18/h10-16,18-19,21-22H,3-9H2,1-2H3,(H,20,23)/t10?,11?,12?,13?,14-,15?,16?,18?/m1/s1
InChIKeyMLBIFGYRQIVEKD-TYMJPPTCSA-N
XLogP0.82
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 ≤ 50.82
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]-5-methyl-1,3-oxazolidine-2-carboxamide with MolForge

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

Launch Full Analysis

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]-5-methyl-1,3-oxazolidine-2-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]-5-methyl-1,3-oxazolidine-2-carboxamide (CID 147742193) 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]-5-methyl-1,3-oxazolidine-2-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]-5-methyl-1,3-oxazolidine-2-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]-5-methyl-1,3-oxazolidine-2-carboxamide is CCC1NC(C2CCC3C(CC[C@H]3NC(=O)C3NCC(C)O3)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]-5-methyl-1,3-oxazolidine-2-carboxamide?
The InChIKey is MLBIFGYRQIVEKD-TYMJPPTCSA-N. The full InChI is InChI=1S/C18H32N4O3/c1-3-15-21-16(22-25-15)12-4-6-13-11(8-12)5-7-14(13)20-17(23)18-19-9-10(2)24-18/h10-16,18-19,21-22H,3-9H2,1-2H3,(H,20,23)/t10?,11?,12?,13?,14-,15?,16?,18?/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]-5-methyl-1,3-oxazolidine-2-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]-5-methyl-1,3-oxazolidine-2-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 0.82, 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]-5-methyl-1,3-oxazolidine-2-carboxamide is sourced from PubChem (CID 147742193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).