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

C18H32FN5O2 — CID 153424177

IUPACN-[(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
SMILESCCC1NC(C2CC(F)C3C(CC[C@H]3NC(=O)C3CNN(C)C3)C2)NO1
InChIInChI=1S/C18H32FN5O2/c1-3-15-22-17(23-26-15)11-6-10-4-5-14(16(10)13(19)7-11)21-18(25)12-8-20-24(2)9-12/h10-17,20,22-23H,3-9H2,1-2H3,(H,21,25)/t10?,11?,12?,13?,14-,15?,16?,17?/m1/s1
InChIKeyPOXXAVQBANJFMQ-UCGNMNKOSA-N
MW369.49 g/mol
LogP0.50
Rot. Bonds4

About 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

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 (PubChem CID 153424177) has the molecular formula C18H32FN5O2 and a molecular weight of 369.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID153424177
Molecular FormulaC18H32FN5O2
Molecular Weight369.49 g/mol
Exact Mass369.25
IUPAC NameN-[(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
SMILESCCC1NC(C2CC(F)C3C(CC[C@H]3NC(=O)C3CNN(C)C3)C2)NO1
InChIInChI=1S/C18H32FN5O2/c1-3-15-22-17(23-26-15)11-6-10-4-5-14(16(10)13(19)7-11)21-18(25)12-8-20-24(2)9-12/h10-17,20,22-23H,3-9H2,1-2H3,(H,21,25)/t10?,11?,12?,13?,14-,15?,16?,17?/m1/s1
InChIKeyPOXXAVQBANJFMQ-UCGNMNKOSA-N
XLogP0.50
TPSA77.66 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 50.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 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 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
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
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]-3-methyl-1,2-oxazolidine-5-carboxamide
CID 153424151
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
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
(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
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
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
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
methyl 1-methylpyrazolidine-4-carboxylate
CID 84648948

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC1NC(C2CC(F)C3C(CC[C@H]3NC(=O)C3CNN(C)C3)C2)NO1.
What is the InChIKey of 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?
The InChIKey is POXXAVQBANJFMQ-UCGNMNKOSA-N. The full InChI is InChI=1S/C18H32FN5O2/c1-3-15-22-17(23-26-15)11-6-10-4-5-14(16(10)13(19)7-11)21-18(25)12-8-20-24(2)9-12/h10-17,20,22-23H,3-9H2,1-2H3,(H,21,25)/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)-7-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-1-methylpyrazolidine-4-carboxamide?
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 has a molecular weight of 369.49 g/mol, XLogP of 0.50, 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)-7-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-1-methylpyrazolidine-4-carboxamide is sourced from PubChem (CID 153424177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).