6-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazine-2-carboxamide

C11H13N5O2 — CID 114035994

IUPAC6-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazine-2-carboxamide
SMILESCc1noc(C)c1CNC(=O)c1cncc(N)n1
InChIInChI=1S/C11H13N5O2/c1-6-8(7(2)18-16-6)3-14-11(17)9-4-13-5-10(12)15-9/h4-5H,3H2,1-2H3,(H2,12,15)(H,14,17)
InChIKeyQGGZJSSQPZGQNU-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.59
Rot. Bonds3

About 6-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazine-2-carboxamide

6-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazine-2-carboxamide (PubChem CID 114035994) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 6-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazine-2-carboxamide
PubChem CID114035994
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name6-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazine-2-carboxamide
SMILESCc1noc(C)c1CNC(=O)c1cncc(N)n1
InChIInChI=1S/C11H13N5O2/c1-6-8(7(2)18-16-6)3-14-11(17)9-4-13-5-10(12)15-9/h4-5H,3H2,1-2H3,(H2,12,15)(H,14,17)
InChIKeyQGGZJSSQPZGQNU-UHFFFAOYSA-N
XLogP0.59
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazine-2-carboxamide
CID 114035828
2-amino-6-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyridine-4-carboxamide
CID 78918282
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-hydrazinylpyridazine-3-carboxamide
CID 79237761
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(propylamino)pyrazine-2-carboxamide
CID 107376112
5-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dimethylbenzamide
CID 102705730
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(propylamino)pyridine-2-carboxamide
CID 79231920
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrazine-2-carboxamide
CID 110742839
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 47916250
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methyl-1-benzofuran-2-carboxamide
CID 112528579
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(methylamino)pyridine-4-carboxamide
CID 105070606
(2S)-2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butanamide
CID 79236085
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 79230873

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 6-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazine-2-carboxamide (CID 114035994) is 6-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 6-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazine-2-carboxamide is Cc1noc(C)c1CNC(=O)c1cncc(N)n1.
What is the InChIKey of 6-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazine-2-carboxamide?
The InChIKey is QGGZJSSQPZGQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-6-8(7(2)18-16-6)3-14-11(17)9-4-13-5-10(12)15-9/h4-5H,3H2,1-2H3,(H2,12,15)(H,14,17).
What are the key properties of 6-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazine-2-carboxamide?
6-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazine-2-carboxamide has a molecular weight of 247.26 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 114035994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).