N-[(3R,4S)-4-phenoxyoxan-3-yl]quinoxaline-5-carboxamide

C20H19N3O3 — CID 91779085

IUPACN-[(3R,4S)-4-phenoxyoxan-3-yl]quinoxaline-5-carboxamide
SMILESO=C(N[C@@H]1COCC[C@@H]1Oc1ccccc1)c1cccc2nccnc12
InChIInChI=1S/C20H19N3O3/c24-20(15-7-4-8-16-19(15)22-11-10-21-16)23-17-13-25-12-9-18(17)26-14-5-2-1-3-6-14/h1-8,10-11,17-18H,9,12-13H2,(H,23,24)/t17-,18+/m1/s1
InChIKeyLUEHOBONVZOPKE-MSOLQXFVSA-N
MW349.39 g/mol
LogP2.60
Rot. Bonds4

About N-[(3R,4S)-4-phenoxyoxan-3-yl]quinoxaline-5-carboxamide

N-[(3R,4S)-4-phenoxyoxan-3-yl]quinoxaline-5-carboxamide (PubChem CID 91779085) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[(3R,4S)-4-phenoxyoxan-3-yl]quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-phenoxyoxan-3-yl]quinoxaline-5-carboxamide
PubChem CID91779085
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-[(3R,4S)-4-phenoxyoxan-3-yl]quinoxaline-5-carboxamide
SMILESO=C(N[C@@H]1COCC[C@@H]1Oc1ccccc1)c1cccc2nccnc12
InChIInChI=1S/C20H19N3O3/c24-20(15-7-4-8-16-19(15)22-11-10-21-16)23-17-13-25-12-9-18(17)26-14-5-2-1-3-6-14/h1-8,10-11,17-18H,9,12-13H2,(H,23,24)/t17-,18+/m1/s1
InChIKeyLUEHOBONVZOPKE-MSOLQXFVSA-N
XLogP2.60
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxycycloheptyl)quinoxaline-5-carboxamide
CID 104615428
N-[(3S,4R)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1-benzofuran-3-carboxamide
CID 133264780
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]quinoxaline-5-carboxamide
CID 135091371
4-[(3R,4R)-3-[(2-pyridin-2-ylacetyl)amino]oxan-4-yl]oxybenzoic acid
CID 91782980
3-(quinoxaline-5-carbonylamino)cyclopentane-1-carboxylic acid
CID 104614148
N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-4-(hydroxymethyl)pyridine-2-carboxamide
CID 90653237
1-(methoxymethyl)-N-[(3R,4S)-4-phenoxyoxan-3-yl]cyclobutane-1-carboxamide
CID 91780944
4-[(3R,4R)-3-(1,3-thiazole-4-carbonylamino)oxan-4-yl]oxybenzoic acid
CID 91783137
6-amino-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]pyridine-3-carboxamide
CID 91797334
3-cyano-N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]benzamide
CID 91768615
N-[(3R,4R)-4-methoxyoxan-3-yl]-2-phenylmethoxybenzamide
CID 91767554
N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]-1H-pyrazole-4-carboxamide
CID 91773229

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-phenoxyoxan-3-yl]quinoxaline-5-carboxamide?
The IUPAC name of N-[(3R,4S)-4-phenoxyoxan-3-yl]quinoxaline-5-carboxamide (CID 91779085) is N-[(3R,4S)-4-phenoxyoxan-3-yl]quinoxaline-5-carboxamide.
What is the SMILES notation for N-[(3R,4S)-4-phenoxyoxan-3-yl]quinoxaline-5-carboxamide?
The canonical SMILES for N-[(3R,4S)-4-phenoxyoxan-3-yl]quinoxaline-5-carboxamide is O=C(N[C@@H]1COCC[C@@H]1Oc1ccccc1)c1cccc2nccnc12.
What is the InChIKey of N-[(3R,4S)-4-phenoxyoxan-3-yl]quinoxaline-5-carboxamide?
The InChIKey is LUEHOBONVZOPKE-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H19N3O3/c24-20(15-7-4-8-16-19(15)22-11-10-21-16)23-17-13-25-12-9-18(17)26-14-5-2-1-3-6-14/h1-8,10-11,17-18H,9,12-13H2,(H,23,24)/t17-,18+/m1/s1.
What are the key properties of N-[(3R,4S)-4-phenoxyoxan-3-yl]quinoxaline-5-carboxamide?
N-[(3R,4S)-4-phenoxyoxan-3-yl]quinoxaline-5-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-phenoxyoxan-3-yl]quinoxaline-5-carboxamide is sourced from PubChem (CID 91779085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).