tert-butyl 5-[5-(methylcarbamoyl)pyrazin-2-yl]-3,6-dihydrooxazine-2-carboxylate

C15H20N4O4 — CID 177234550

IUPACtert-butyl 5-[5-(methylcarbamoyl)pyrazin-2-yl]-3,6-dihydrooxazine-2-carboxylate
SMILESCNC(=O)c1cnc(C2=CCN(C(=O)OC(C)(C)C)OC2)cn1
InChIInChI=1S/C15H20N4O4/c1-15(2,3)23-14(21)19-6-5-10(9-22-19)11-7-18-12(8-17-11)13(20)16-4/h5,7-8H,6,9H2,1-4H3,(H,16,20)
InChIKeyGKXONVZFTJXIOC-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.40
Rot. Bonds2

About tert-butyl 5-[5-(methylcarbamoyl)pyrazin-2-yl]-3,6-dihydrooxazine-2-carboxylate

tert-butyl 5-[5-(methylcarbamoyl)pyrazin-2-yl]-3,6-dihydrooxazine-2-carboxylate (PubChem CID 177234550) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is tert-butyl 5-[5-(methylcarbamoyl)pyrazin-2-yl]-3,6-dihydrooxazine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-[5-(methylcarbamoyl)pyrazin-2-yl]-3,6-dihydrooxazine-2-carboxylate
PubChem CID177234550
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC Nametert-butyl 5-[5-(methylcarbamoyl)pyrazin-2-yl]-3,6-dihydrooxazine-2-carboxylate
SMILESCNC(=O)c1cnc(C2=CCN(C(=O)OC(C)(C)C)OC2)cn1
InChIInChI=1S/C15H20N4O4/c1-15(2,3)23-14(21)19-6-5-10(9-22-19)11-7-18-12(8-17-11)13(20)16-4/h5,7-8H,6,9H2,1-4H3,(H,16,20)
InChIKeyGKXONVZFTJXIOC-UHFFFAOYSA-N
XLogP1.40
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 5-methyl-3,6-dihydrooxazine-2-carboxylate
CID 10856475
5-[2-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N-methylpyrazine-2-carboxamide
CID 177234480
tert-butyl 3-[[6-(methylcarbamoyl)-3-pyridinyl]oxy]-3-(trifluoromethyl)azetidine-1-carboxylate
CID 171487939
tert-butyl oxaziridine-2-carboxylate
CID 87264596
tert-butyl 4-[4-(methylcarbamoyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 149339424
tert-butyl 7-[6-(methylcarbamoyl)-3-pyridinyl]-2,7-diazaspiro[3.4]octane-2-carboxylate
CID 176613438
tert-butyl 2-[[6-(methylcarbamoyl)-3-pyridinyl]carbamoyl]-6-azaspiro[2.5]octane-6-carboxylate
CID 163299121
tert-butyl N-[4-methoxy-6-(methylcarbamoyl)-3-pyridinyl]carbamate
CID 178125649
methyl 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxylate
CID 67125893
acetaldehyde;N,5-dimethylpyrazine-2-carboxamide
CID 144521434
tert-butyl 3-pyrimidin-2-yl-2,5-dihydropyrrole-1-carboxylate
CID 153394118
2-bromoacetaldehyde;N,5-dimethylpyrazine-2-carboxamide
CID 144521390

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-[5-(methylcarbamoyl)pyrazin-2-yl]-3,6-dihydrooxazine-2-carboxylate?
The IUPAC name of tert-butyl 5-[5-(methylcarbamoyl)pyrazin-2-yl]-3,6-dihydrooxazine-2-carboxylate (CID 177234550) is tert-butyl 5-[5-(methylcarbamoyl)pyrazin-2-yl]-3,6-dihydrooxazine-2-carboxylate.
What is the SMILES notation for tert-butyl 5-[5-(methylcarbamoyl)pyrazin-2-yl]-3,6-dihydrooxazine-2-carboxylate?
The canonical SMILES for tert-butyl 5-[5-(methylcarbamoyl)pyrazin-2-yl]-3,6-dihydrooxazine-2-carboxylate is CNC(=O)c1cnc(C2=CCN(C(=O)OC(C)(C)C)OC2)cn1.
What is the InChIKey of tert-butyl 5-[5-(methylcarbamoyl)pyrazin-2-yl]-3,6-dihydrooxazine-2-carboxylate?
The InChIKey is GKXONVZFTJXIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4/c1-15(2,3)23-14(21)19-6-5-10(9-22-19)11-7-18-12(8-17-11)13(20)16-4/h5,7-8H,6,9H2,1-4H3,(H,16,20).
What are the key properties of tert-butyl 5-[5-(methylcarbamoyl)pyrazin-2-yl]-3,6-dihydrooxazine-2-carboxylate?
tert-butyl 5-[5-(methylcarbamoyl)pyrazin-2-yl]-3,6-dihydrooxazine-2-carboxylate has a molecular weight of 320.35 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-[5-(methylcarbamoyl)pyrazin-2-yl]-3,6-dihydrooxazine-2-carboxylate is sourced from PubChem (CID 177234550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).