5-[(4-tert-butyl-1,3-oxazol-2-yl)methylamino]pyrazine-2-carboxylic acid

C13H16N4O3 — CID 167786219

IUPAC5-[(4-tert-butyl-1,3-oxazol-2-yl)methylamino]pyrazine-2-carboxylic acid
SMILESCC(C)(C)c1coc(CNc2cnc(C(=O)O)cn2)n1
InChIInChI=1S/C13H16N4O3/c1-13(2,3)9-7-20-11(17-9)6-16-10-5-14-8(4-15-10)12(18)19/h4-5,7H,6H2,1-3H3,(H,15,16)(H,18,19)
InChIKeyWIFMBMICTVKPNP-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.07
Rot. Bonds4

About 5-[(4-tert-butyl-1,3-oxazol-2-yl)methylamino]pyrazine-2-carboxylic acid

5-[(4-tert-butyl-1,3-oxazol-2-yl)methylamino]pyrazine-2-carboxylic acid (PubChem CID 167786219) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 5-[(4-tert-butyl-1,3-oxazol-2-yl)methylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-tert-butyl-1,3-oxazol-2-yl)methylamino]pyrazine-2-carboxylic acid
PubChem CID167786219
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name5-[(4-tert-butyl-1,3-oxazol-2-yl)methylamino]pyrazine-2-carboxylic acid
SMILESCC(C)(C)c1coc(CNc2cnc(C(=O)O)cn2)n1
InChIInChI=1S/C13H16N4O3/c1-13(2,3)9-7-20-11(17-9)6-16-10-5-14-8(4-15-10)12(18)19/h4-5,7H,6H2,1-3H3,(H,15,16)(H,18,19)
InChIKeyWIFMBMICTVKPNP-UHFFFAOYSA-N
XLogP2.07
TPSA101.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-tert-butyl-1,3-oxazol-2-yl)methylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[(4-tert-butyl-1,3-oxazol-2-yl)methylamino]pyrazine-2-carboxylic acid (CID 167786219) is 5-[(4-tert-butyl-1,3-oxazol-2-yl)methylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[(4-tert-butyl-1,3-oxazol-2-yl)methylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[(4-tert-butyl-1,3-oxazol-2-yl)methylamino]pyrazine-2-carboxylic acid is CC(C)(C)c1coc(CNc2cnc(C(=O)O)cn2)n1.
What is the InChIKey of 5-[(4-tert-butyl-1,3-oxazol-2-yl)methylamino]pyrazine-2-carboxylic acid?
The InChIKey is WIFMBMICTVKPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-13(2,3)9-7-20-11(17-9)6-16-10-5-14-8(4-15-10)12(18)19/h4-5,7H,6H2,1-3H3,(H,15,16)(H,18,19).
What are the key properties of 5-[(4-tert-butyl-1,3-oxazol-2-yl)methylamino]pyrazine-2-carboxylic acid?
5-[(4-tert-butyl-1,3-oxazol-2-yl)methylamino]pyrazine-2-carboxylic acid has a molecular weight of 276.30 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-tert-butyl-1,3-oxazol-2-yl)methylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 167786219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).