2-amino-N-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazole-4-carboxamide

C8H8N4O3 — CID 110865548

IUPAC2-amino-N-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazole-4-carboxamide
SMILESCc1cc(NC(=O)c2coc(N)n2)no1
InChIInChI=1S/C8H8N4O3/c1-4-2-6(12-15-4)11-7(13)5-3-14-8(9)10-5/h2-3H,1H3,(H2,9,10)(H,11,12,13)
InChIKeyUBRRDWLRXDRKPS-UHFFFAOYSA-N
MW208.18 g/mol
LogP0.81
Rot. Bonds2

About 2-amino-N-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazole-4-carboxamide

2-amino-N-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazole-4-carboxamide (PubChem CID 110865548) has the molecular formula C8H8N4O3 and a molecular weight of 208.18 g/mol. Its IUPAC name is 2-amino-N-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazole-4-carboxamide
PubChem CID110865548
Molecular FormulaC8H8N4O3
Molecular Weight208.18 g/mol
Exact Mass208.06
IUPAC Name2-amino-N-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazole-4-carboxamide
SMILESCc1cc(NC(=O)c2coc(N)n2)no1
InChIInChI=1S/C8H8N4O3/c1-4-2-6(12-15-4)11-7(13)5-3-14-8(9)10-5/h2-3H,1H3,(H2,9,10)(H,11,12,13)
InChIKeyUBRRDWLRXDRKPS-UHFFFAOYSA-N
XLogP0.81
TPSA107.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-amino-N-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazole-4-carboxamide (CID 110865548) is 2-amino-N-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-amino-N-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazole-4-carboxamide is Cc1cc(NC(=O)c2coc(N)n2)no1.
What is the InChIKey of 2-amino-N-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is UBRRDWLRXDRKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O3/c1-4-2-6(12-15-4)11-7(13)5-3-14-8(9)10-5/h2-3H,1H3,(H2,9,10)(H,11,12,13).
What are the key properties of 2-amino-N-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazole-4-carboxamide?
2-amino-N-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 208.18 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 110865548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).