2-[(4-acetyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxamide

C9H9N5O3 — CID 67365582

IUPAC2-[(4-acetyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxamide
SMILESCC(=O)c1coc(Cn2ncc(C(N)=O)n2)n1
InChIInChI=1S/C9H9N5O3/c1-5(15)7-4-17-8(12-7)3-14-11-2-6(13-14)9(10)16/h2,4H,3H2,1H3,(H2,10,16)
InChIKeyCWNASBAOPYISBO-UHFFFAOYSA-N
MW235.20 g/mol
LogP-0.38
Rot. Bonds4

About 2-[(4-acetyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxamide

2-[(4-acetyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxamide (PubChem CID 67365582) has the molecular formula C9H9N5O3 and a molecular weight of 235.20 g/mol. Its IUPAC name is 2-[(4-acetyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-acetyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxamide
PubChem CID67365582
Molecular FormulaC9H9N5O3
Molecular Weight235.20 g/mol
Exact Mass235.07
IUPAC Name2-[(4-acetyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxamide
SMILESCC(=O)c1coc(Cn2ncc(C(N)=O)n2)n1
InChIInChI=1S/C9H9N5O3/c1-5(15)7-4-17-8(12-7)3-14-11-2-6(13-14)9(10)16/h2,4H,3H2,1H3,(H2,10,16)
InChIKeyCWNASBAOPYISBO-UHFFFAOYSA-N
XLogP-0.38
TPSA116.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxamide?
The IUPAC name of 2-[(4-acetyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxamide (CID 67365582) is 2-[(4-acetyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 2-[(4-acetyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxamide?
The canonical SMILES for 2-[(4-acetyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxamide is CC(=O)c1coc(Cn2ncc(C(N)=O)n2)n1.
What is the InChIKey of 2-[(4-acetyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxamide?
The InChIKey is CWNASBAOPYISBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O3/c1-5(15)7-4-17-8(12-7)3-14-11-2-6(13-14)9(10)16/h2,4H,3H2,1H3,(H2,10,16).
What are the key properties of 2-[(4-acetyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxamide?
2-[(4-acetyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxamide has a molecular weight of 235.20 g/mol, XLogP of -0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 67365582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).