(4aR,8aS)-3-oxo-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-1-carboxamide

C18H22N4O4 — CID 96541607

IUPAC(4aR,8aS)-3-oxo-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-1-carboxamide
SMILESO=C1CN(C(=O)Nc2cccc(N3CCOC3=O)c2)[C@H]2CCCC[C@H]2N1
InChIInChI=1S/C18H22N4O4/c23-16-11-22(15-7-2-1-6-14(15)20-16)17(24)19-12-4-3-5-13(10-12)21-8-9-26-18(21)25/h3-5,10,14-15H,1-2,6-9,11H2,(H,19,24)(H,20,23)/t14-,15+/m1/s1
InChIKeyYZXBLKKLIQCJKE-CABCVRRESA-N
MW358.40 g/mol
LogP1.92
Rot. Bonds2

About (4aR,8aS)-3-oxo-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-1-carboxamide

(4aR,8aS)-3-oxo-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-1-carboxamide (PubChem CID 96541607) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is (4aR,8aS)-3-oxo-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-1-carboxamide.

Molecular Properties

Compound Name(4aR,8aS)-3-oxo-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-1-carboxamide
PubChem CID96541607
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name(4aR,8aS)-3-oxo-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-1-carboxamide
SMILESO=C1CN(C(=O)Nc2cccc(N3CCOC3=O)c2)[C@H]2CCCC[C@H]2N1
InChIInChI=1S/C18H22N4O4/c23-16-11-22(15-7-2-1-6-14(15)20-16)17(24)19-12-4-3-5-13(10-12)21-8-9-26-18(21)25/h3-5,10,14-15H,1-2,6-9,11H2,(H,19,24)(H,20,23)/t14-,15+/m1/s1
InChIKeyYZXBLKKLIQCJKE-CABCVRRESA-N
XLogP1.92
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4aR,8aS)-3-oxo-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-1-carboxamide with MolForge

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Related Compounds

(2S,3R)-2,3-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]thiomorpholine-4-carboxamide
CID 97022621
(2R,3S)-2,3-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]thiomorpholine-4-carboxamide
CID 97022624
2-(4-methoxyphenyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]azepane-1-carboxamide
CID 51115399
(2R)-2-(5-methyl-1,2-oxazol-3-yl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrolidine-1-carboxamide
CID 95157820
(3S)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]piperidine-3-carboxamide
CID 81118205
(2S)-2-N-(4-methoxyphenyl)-1-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 52539601
1-amino-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopentane-1-carboxamide
CID 60852641
N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2-phenylacetamide
CID 110874037
(4aS,8aR)-N-(3-chloro-4-cyanophenyl)-3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-1-carboxamide
CID 97076862
3-(1H-benzimidazol-2-yl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]piperidine-1-carboxamide
CID 55697774
(2R)-1-(2-hydroxybenzoyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrolidine-2-carboxamide
CID 94441390
3-[3-(1-cyclohexylethylamino)phenyl]-1,3-oxazolidin-2-one
CID 43787434

Frequently Asked Questions

What is the IUPAC name of (4aR,8aS)-3-oxo-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-1-carboxamide?
The IUPAC name of (4aR,8aS)-3-oxo-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-1-carboxamide (CID 96541607) is (4aR,8aS)-3-oxo-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-1-carboxamide.
What is the SMILES notation for (4aR,8aS)-3-oxo-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-1-carboxamide?
The canonical SMILES for (4aR,8aS)-3-oxo-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-1-carboxamide is O=C1CN(C(=O)Nc2cccc(N3CCOC3=O)c2)[C@H]2CCCC[C@H]2N1.
What is the InChIKey of (4aR,8aS)-3-oxo-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-1-carboxamide?
The InChIKey is YZXBLKKLIQCJKE-CABCVRRESA-N. The full InChI is InChI=1S/C18H22N4O4/c23-16-11-22(15-7-2-1-6-14(15)20-16)17(24)19-12-4-3-5-13(10-12)21-8-9-26-18(21)25/h3-5,10,14-15H,1-2,6-9,11H2,(H,19,24)(H,20,23)/t14-,15+/m1/s1.
What are the key properties of (4aR,8aS)-3-oxo-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-1-carboxamide?
(4aR,8aS)-3-oxo-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-1-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aS)-3-oxo-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-1-carboxamide is sourced from PubChem (CID 96541607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).