tert-butyl 6-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate

C15H24N4O3 — CID 106388829

IUPACtert-butyl 6-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCc1cnc(C(C)NC2=NCCN(C(=O)OC(C)(C)C)C2)o1
InChIInChI=1S/C15H24N4O3/c1-10-8-17-13(21-10)11(2)18-12-9-19(7-6-16-12)14(20)22-15(3,4)5/h8,11H,6-7,9H2,1-5H3,(H,16,18)
InChIKeyCTLLQTHCJMTMMC-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.28
Rot. Bonds2

About tert-butyl 6-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate

tert-butyl 6-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 106388829) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is tert-butyl 6-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID106388829
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Nametert-butyl 6-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCc1cnc(C(C)NC2=NCCN(C(=O)OC(C)(C)C)C2)o1
InChIInChI=1S/C15H24N4O3/c1-10-8-17-13(21-10)11(2)18-12-9-19(7-6-16-12)14(20)22-15(3,4)5/h8,11H,6-7,9H2,1-5H3,(H,16,18)
InChIKeyCTLLQTHCJMTMMC-UHFFFAOYSA-N
XLogP2.28
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 6-(propan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397846
tert-butyl 6-(3-methylpentan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398022
tert-butyl 6-(pent-4-en-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398353
tert-butyl N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]carbamate
CID 103947091
tert-butyl 6-methyl-3,5-dihydro-2H-pyrazine-4-carboxylate;ethane
CID 145066707
tert-butyl 6-[(5-methylpyrazin-2-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398128
tert-butyl 6-(1-ethylsulfanylpropan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398393
tert-butyl 6-(1-pyrazol-1-ylpropan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398019
tert-butyl 6-(1-methoxybutan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398188
tert-butyl 6-[(2-hydroxy-1-phenylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398140
tert-butyl 6-[(1-propan-2-ylpyrazol-4-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398132
tert-butyl 6-(1,3-thiazol-5-ylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398410

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 106388829) is tert-butyl 6-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate is Cc1cnc(C(C)NC2=NCCN(C(=O)OC(C)(C)C)C2)o1.
What is the InChIKey of tert-butyl 6-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is CTLLQTHCJMTMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-10-8-17-13(21-10)11(2)18-12-9-19(7-6-16-12)14(20)22-15(3,4)5/h8,11H,6-7,9H2,1-5H3,(H,16,18).
What are the key properties of tert-butyl 6-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 308.38 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 106388829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).