cyclononyl-[(2S)-2-(5-cyclononyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]methanone

C26H42N2O2 — CID 139318083

IUPACcyclononyl-[(2S)-2-(5-cyclononyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(C1CCCCCCCC1)N1CCC[C@H]1c1ncc(C2CCCCCCCC2)o1
InChIInChI=1S/C26H42N2O2/c29-26(22-16-11-7-3-4-8-12-17-22)28-19-13-18-23(28)25-27-20-24(30-25)21-14-9-5-1-2-6-10-15-21/h20-23H,1-19H2/t23-/m0/s1
InChIKeyZWPDUGORRNJDJF-QHCPKHFHSA-N
MW414.63 g/mol
LogP7.31
Rot. Bonds3

About cyclononyl-[(2S)-2-(5-cyclononyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]methanone

cyclononyl-[(2S)-2-(5-cyclononyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 139318083) has the molecular formula C26H42N2O2 and a molecular weight of 414.63 g/mol. Its IUPAC name is cyclononyl-[(2S)-2-(5-cyclononyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclononyl-[(2S)-2-(5-cyclononyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID139318083
Molecular FormulaC26H42N2O2
Molecular Weight414.63 g/mol
Exact Mass414.32
IUPAC Namecyclononyl-[(2S)-2-(5-cyclononyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(C1CCCCCCCC1)N1CCC[C@H]1c1ncc(C2CCCCCCCC2)o1
InChIInChI=1S/C26H42N2O2/c29-26(22-16-11-7-3-4-8-12-17-22)28-19-13-18-23(28)25-27-20-24(30-25)21-14-9-5-1-2-6-10-15-21/h20-23H,1-19H2/t23-/m0/s1
InChIKeyZWPDUGORRNJDJF-QHCPKHFHSA-N
XLogP7.31
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.63
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclodecyl-[(2S)-2-(5-cyclodecyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 139317400
cyclohexyl-[(2R)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]methanone
CID 125001958
[2-(5-cyclononyl-1,3,4-thiadiazol-2-yl)pyrrolidin-1-yl]-cyclooctylmethanone
CID 123189309
cyclohexyl-[(2S)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 125019117
[2-(3-cyclononyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-cyclooct-4-en-1-ylmethanone
CID 123339088
1-[(2S)-2-(5-methyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]ethanone
CID 118359439
cyclohexyl-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 53017114
cyclononyl-[2-[4-(cyclononylmethyl)-1,3-oxazol-2-yl]pyrrolidin-1-yl]methanone
CID 123306137
cyclohexyl-[2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]methanone
CID 56920108
cyclohexyl-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002505
cyclohexyl-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002506
cyclohexyl-[(2R)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 813131

Frequently Asked Questions

What is the IUPAC name of cyclononyl-[(2S)-2-(5-cyclononyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of cyclononyl-[(2S)-2-(5-cyclononyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]methanone (CID 139318083) is cyclononyl-[(2S)-2-(5-cyclononyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclononyl-[(2S)-2-(5-cyclononyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclononyl-[(2S)-2-(5-cyclononyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]methanone is O=C(C1CCCCCCCC1)N1CCC[C@H]1c1ncc(C2CCCCCCCC2)o1.
What is the InChIKey of cyclononyl-[(2S)-2-(5-cyclononyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is ZWPDUGORRNJDJF-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H42N2O2/c29-26(22-16-11-7-3-4-8-12-17-22)28-19-13-18-23(28)25-27-20-24(30-25)21-14-9-5-1-2-6-10-15-21/h20-23H,1-19H2/t23-/m0/s1.
What are the key properties of cyclononyl-[(2S)-2-(5-cyclononyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]methanone?
cyclononyl-[(2S)-2-(5-cyclononyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 414.63 g/mol, XLogP of 7.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclononyl-[(2S)-2-(5-cyclononyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 139318083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).