2-ethyl-16-oxa-3,5,8,11,14,15-hexazabicyclo[11.2.1]hexadeca-1(15),13-diene-4,7,10-trione

C11H16N6O4 — CID 126707234

IUPAC2-ethyl-16-oxa-3,5,8,11,14,15-hexazabicyclo[11.2.1]hexadeca-1(15),13-diene-4,7,10-trione
SMILESCCC1NC(=O)NCC(=O)NCC(=O)NCc2nnc1o2
InChIInChI=1S/C11H16N6O4/c1-2-6-10-17-16-9(21-10)5-13-7(18)3-12-8(19)4-14-11(20)15-6/h6H,2-5H2,1H3,(H,12,19)(H,13,18)(H2,14,15,20)
InChIKeyRAHVCKXQTCQBTF-UHFFFAOYSA-N
MW296.29 g/mol
LogP-1.43
Rot. Bonds1

About 2-ethyl-16-oxa-3,5,8,11,14,15-hexazabicyclo[11.2.1]hexadeca-1(15),13-diene-4,7,10-trione

2-ethyl-16-oxa-3,5,8,11,14,15-hexazabicyclo[11.2.1]hexadeca-1(15),13-diene-4,7,10-trione (PubChem CID 126707234) has the molecular formula C11H16N6O4 and a molecular weight of 296.29 g/mol. Its IUPAC name is 2-ethyl-16-oxa-3,5,8,11,14,15-hexazabicyclo[11.2.1]hexadeca-1(15),13-diene-4,7,10-trione.

Molecular Properties

Compound Name2-ethyl-16-oxa-3,5,8,11,14,15-hexazabicyclo[11.2.1]hexadeca-1(15),13-diene-4,7,10-trione
PubChem CID126707234
Molecular FormulaC11H16N6O4
Molecular Weight296.29 g/mol
Exact Mass296.12
IUPAC Name2-ethyl-16-oxa-3,5,8,11,14,15-hexazabicyclo[11.2.1]hexadeca-1(15),13-diene-4,7,10-trione
SMILESCCC1NC(=O)NCC(=O)NCC(=O)NCc2nnc1o2
InChIInChI=1S/C11H16N6O4/c1-2-6-10-17-16-9(21-10)5-13-7(18)3-12-8(19)4-14-11(20)15-6/h6H,2-5H2,1H3,(H,12,19)(H,13,18)(H2,14,15,20)
InChIKeyRAHVCKXQTCQBTF-UHFFFAOYSA-N
XLogP-1.43
TPSA138.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 5-1.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-ethyl-16-oxa-3,5,8,11,14,15-hexazabicyclo[11.2.1]hexadeca-1(15),13-diene-4,7,10-trione with MolForge

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Related Compounds

N-[(1S)-5-amino-1-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]pentyl]piperazine-1-carboxamide
CID 44465678
(2S)-2-amino-3,3-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]butanamide
CID 58124688
N-[1-[5-(1-acetamidoethyl)-1,3,4-oxadiazol-2-yl]ethyl]acetamide
CID 59539442
N-[(1S)-5-amino-1-(5-ethyl-1,3,4-oxadiazol-2-yl)pentyl]piperazine-1-carboxamide
CID 68205361
2-amino-3,3-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]butanamide
CID 70969888
2-amino-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,3-dimethylbutanamide
CID 91094424
(2S)-2-[[(1S)-1-[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamoylamino]propanoic acid
CID 122535598
3-Butyl-2-ethyl-19-oxa-3,5,7,9,12,14,17,18-octazabicyclo[14.2.1]nonadeca-1(18),16-diene-4,6,8,11,13-pentone
CID 126707221
2-Ethyl-3-propyl-18-oxa-3,5,7,9,11,13,16,17-octazabicyclo[13.2.1]octadeca-1(17),15-diene-4,6,8,10,12-pentone
CID 126707222
13-Ethyl-10,12-dimethyl-11-methylidene-17-oxa-3,5,7,10,12,15,16-heptazabicyclo[12.2.1]heptadeca-1(16),14-diene-4,6,8-trione
CID 126707268
N-(formylcarbamoyl)-2-[[2-[1-[5-(methylamino)-1,3,4-oxadiazol-2-yl]propyl-propylamino]acetyl]amino]acetamide
CID 126707274
2-Ethyl-3-propyl-16-oxa-3,5,8,11,14,15-hexazabicyclo[11.2.1]hexadeca-1(15),13-diene-4,7,10-trione
CID 126707277

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-16-oxa-3,5,8,11,14,15-hexazabicyclo[11.2.1]hexadeca-1(15),13-diene-4,7,10-trione?
The IUPAC name of 2-ethyl-16-oxa-3,5,8,11,14,15-hexazabicyclo[11.2.1]hexadeca-1(15),13-diene-4,7,10-trione (CID 126707234) is 2-ethyl-16-oxa-3,5,8,11,14,15-hexazabicyclo[11.2.1]hexadeca-1(15),13-diene-4,7,10-trione.
What is the SMILES notation for 2-ethyl-16-oxa-3,5,8,11,14,15-hexazabicyclo[11.2.1]hexadeca-1(15),13-diene-4,7,10-trione?
The canonical SMILES for 2-ethyl-16-oxa-3,5,8,11,14,15-hexazabicyclo[11.2.1]hexadeca-1(15),13-diene-4,7,10-trione is CCC1NC(=O)NCC(=O)NCC(=O)NCc2nnc1o2.
What is the InChIKey of 2-ethyl-16-oxa-3,5,8,11,14,15-hexazabicyclo[11.2.1]hexadeca-1(15),13-diene-4,7,10-trione?
The InChIKey is RAHVCKXQTCQBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O4/c1-2-6-10-17-16-9(21-10)5-13-7(18)3-12-8(19)4-14-11(20)15-6/h6H,2-5H2,1H3,(H,12,19)(H,13,18)(H2,14,15,20).
What are the key properties of 2-ethyl-16-oxa-3,5,8,11,14,15-hexazabicyclo[11.2.1]hexadeca-1(15),13-diene-4,7,10-trione?
2-ethyl-16-oxa-3,5,8,11,14,15-hexazabicyclo[11.2.1]hexadeca-1(15),13-diene-4,7,10-trione has a molecular weight of 296.29 g/mol, XLogP of -1.43, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-16-oxa-3,5,8,11,14,15-hexazabicyclo[11.2.1]hexadeca-1(15),13-diene-4,7,10-trione is sourced from PubChem (CID 126707234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).