N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-2-oxo-1H-pyrazine-3-carboxamide

C16H20N4O5 — CID 91760778

IUPACN-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-2-oxo-1H-pyrazine-3-carboxamide
SMILESCc1noc(C)c1CO[C@@H]1COCC[C@H]1NC(=O)c1ncc[nH]c1=O
InChIInChI=1S/C16H20N4O5/c1-9-11(10(2)25-20-9)7-24-13-8-23-6-3-12(13)19-16(22)14-15(21)18-5-4-17-14/h4-5,12-13H,3,6-8H2,1-2H3,(H,18,21)(H,19,22)/t12-,13-/m1/s1
InChIKeyIYOCGIOYXQAZIB-CHWSQXEVSA-N
MW348.36 g/mol
LogP0.48
Rot. Bonds5

About N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-2-oxo-1H-pyrazine-3-carboxamide

N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-2-oxo-1H-pyrazine-3-carboxamide (PubChem CID 91760778) has the molecular formula C16H20N4O5 and a molecular weight of 348.36 g/mol. Its IUPAC name is N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-2-oxo-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-2-oxo-1H-pyrazine-3-carboxamide
PubChem CID91760778
Molecular FormulaC16H20N4O5
Molecular Weight348.36 g/mol
Exact Mass348.14
IUPAC NameN-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-2-oxo-1H-pyrazine-3-carboxamide
SMILESCc1noc(C)c1CO[C@@H]1COCC[C@H]1NC(=O)c1ncc[nH]c1=O
InChIInChI=1S/C16H20N4O5/c1-9-11(10(2)25-20-9)7-24-13-8-23-6-3-12(13)19-16(22)14-15(21)18-5-4-17-14/h4-5,12-13H,3,6-8H2,1-2H3,(H,18,21)(H,19,22)/t12-,13-/m1/s1
InChIKeyIYOCGIOYXQAZIB-CHWSQXEVSA-N
XLogP0.48
TPSA119.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 91769285
N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-5-methyl-1,3-oxazole-4-carboxamide
CID 91781380
N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 91765324
N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-1H-pyrazole-4-carboxamide
CID 91786762
6-amino-N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]pyridine-3-carboxamide
CID 91772240
4-(dimethylamino)-N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]benzamide
CID 91793714
N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-5-propyl-1,2-oxazole-3-carboxamide
CID 91780446
N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-2-(4-methylphenyl)acetamide
CID 91782854
N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 91778333
N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-2-(methylamino)pyrimidine-5-carboxamide
CID 91760952
(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1,4-dithiepan-6-yl)oxan-4-amine
CID 91798218
5-methyl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-2H-triazole-4-carboxamide
CID 91793986

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-2-oxo-1H-pyrazine-3-carboxamide?
The IUPAC name of N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-2-oxo-1H-pyrazine-3-carboxamide (CID 91760778) is N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-2-oxo-1H-pyrazine-3-carboxamide.
What is the SMILES notation for N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-2-oxo-1H-pyrazine-3-carboxamide?
The canonical SMILES for N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-2-oxo-1H-pyrazine-3-carboxamide is Cc1noc(C)c1CO[C@@H]1COCC[C@H]1NC(=O)c1ncc[nH]c1=O.
What is the InChIKey of N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-2-oxo-1H-pyrazine-3-carboxamide?
The InChIKey is IYOCGIOYXQAZIB-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H20N4O5/c1-9-11(10(2)25-20-9)7-24-13-8-23-6-3-12(13)19-16(22)14-15(21)18-5-4-17-14/h4-5,12-13H,3,6-8H2,1-2H3,(H,18,21)(H,19,22)/t12-,13-/m1/s1.
What are the key properties of N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-2-oxo-1H-pyrazine-3-carboxamide?
N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-2-oxo-1H-pyrazine-3-carboxamide has a molecular weight of 348.36 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-2-oxo-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 91760778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).