N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]quinoxaline-5-carboxamide

C18H19N5O2 — CID 129340184

IUPACN-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]quinoxaline-5-carboxamide
SMILESCn1cncc1[C@@H]1C[C@H](NC(=O)c2cccc3nccnc23)CCO1
InChIInChI=1S/C18H19N5O2/c1-23-11-19-10-15(23)16-9-12(5-8-25-16)22-18(24)13-3-2-4-14-17(13)21-7-6-20-14/h2-4,6-7,10-12,16H,5,8-9H2,1H3,(H,22,24)/t12-,16+/m1/s1
InChIKeyWXFPSCOQDNWTLI-WBMJQRKESA-N
MW337.38 g/mol
LogP2.01
Rot. Bonds3

About N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]quinoxaline-5-carboxamide

N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]quinoxaline-5-carboxamide (PubChem CID 129340184) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]quinoxaline-5-carboxamide
PubChem CID129340184
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC NameN-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]quinoxaline-5-carboxamide
SMILESCn1cncc1[C@@H]1C[C@H](NC(=O)c2cccc3nccnc23)CCO1
InChIInChI=1S/C18H19N5O2/c1-23-11-19-10-15(23)16-9-12(5-8-25-16)22-18(24)13-3-2-4-14-17(13)21-7-6-20-14/h2-4,6-7,10-12,16H,5,8-9H2,1H3,(H,22,24)/t12-,16+/m1/s1
InChIKeyWXFPSCOQDNWTLI-WBMJQRKESA-N
XLogP2.01
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethoxy-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]pyridine-3-carboxamide
CID 129337436
3-ethyl-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]pyridine-4-carboxamide
CID 129339443
4-methyl-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]thiophene-3-carboxamide
CID 128966423
4-(dimethylamino)-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]pyridine-2-carboxamide
CID 129475939
2-fluoro-4-methoxy-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]benzamide
CID 129492339
5-chloro-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]thiophene-2-carboxamide
CID 128992160
1-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-(5-methyl-2-pyridinyl)urea
CID 129476958
1-(5-fluoro-2-pyridinyl)-3-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]urea
CID 129477022
1-(5-fluoro-2-pyridinyl)-3-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]urea
CID 129477020
1-methyl-N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-propan-2-ylpyrazole-5-carboxamide
CID 129346409
N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 129476648
N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2-propyl-1,3-thiazole-5-carboxamide
CID 129328904

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]quinoxaline-5-carboxamide?
The IUPAC name of N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]quinoxaline-5-carboxamide (CID 129340184) is N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]quinoxaline-5-carboxamide.
What is the SMILES notation for N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]quinoxaline-5-carboxamide?
The canonical SMILES for N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]quinoxaline-5-carboxamide is Cn1cncc1[C@@H]1C[C@H](NC(=O)c2cccc3nccnc23)CCO1.
What is the InChIKey of N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]quinoxaline-5-carboxamide?
The InChIKey is WXFPSCOQDNWTLI-WBMJQRKESA-N. The full InChI is InChI=1S/C18H19N5O2/c1-23-11-19-10-15(23)16-9-12(5-8-25-16)22-18(24)13-3-2-4-14-17(13)21-7-6-20-14/h2-4,6-7,10-12,16H,5,8-9H2,1H3,(H,22,24)/t12-,16+/m1/s1.
What are the key properties of N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]quinoxaline-5-carboxamide?
N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]quinoxaline-5-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]quinoxaline-5-carboxamide is sourced from PubChem (CID 129340184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).