1-[(2-acetyl-1,3-oxazol-5-yl)methyl]pyrazole-3-carboxamide

C10H10N4O3 — CID 70864555

IUPAC1-[(2-acetyl-1,3-oxazol-5-yl)methyl]pyrazole-3-carboxamide
SMILESCC(=O)c1ncc(Cn2ccc(C(N)=O)n2)o1
InChIInChI=1S/C10H10N4O3/c1-6(15)10-12-4-7(17-10)5-14-3-2-8(13-14)9(11)16/h2-4H,5H2,1H3,(H2,11,16)
InChIKeyZGEGZJDRLHNBPS-UHFFFAOYSA-N
MW234.22 g/mol
LogP0.22
Rot. Bonds4

About 1-[(2-acetyl-1,3-oxazol-5-yl)methyl]pyrazole-3-carboxamide

1-[(2-acetyl-1,3-oxazol-5-yl)methyl]pyrazole-3-carboxamide (PubChem CID 70864555) has the molecular formula C10H10N4O3 and a molecular weight of 234.22 g/mol. Its IUPAC name is 1-[(2-acetyl-1,3-oxazol-5-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(2-acetyl-1,3-oxazol-5-yl)methyl]pyrazole-3-carboxamide
PubChem CID70864555
Molecular FormulaC10H10N4O3
Molecular Weight234.22 g/mol
Exact Mass234.08
IUPAC Name1-[(2-acetyl-1,3-oxazol-5-yl)methyl]pyrazole-3-carboxamide
SMILESCC(=O)c1ncc(Cn2ccc(C(N)=O)n2)o1
InChIInChI=1S/C10H10N4O3/c1-6(15)10-12-4-7(17-10)5-14-3-2-8(13-14)9(11)16/h2-4H,5H2,1H3,(H2,11,16)
InChIKeyZGEGZJDRLHNBPS-UHFFFAOYSA-N
XLogP0.22
TPSA104.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-acetyl-1,3-oxazol-5-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[(2-acetyl-1,3-oxazol-5-yl)methyl]pyrazole-3-carboxamide (CID 70864555) is 1-[(2-acetyl-1,3-oxazol-5-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(2-acetyl-1,3-oxazol-5-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[(2-acetyl-1,3-oxazol-5-yl)methyl]pyrazole-3-carboxamide is CC(=O)c1ncc(Cn2ccc(C(N)=O)n2)o1.
What is the InChIKey of 1-[(2-acetyl-1,3-oxazol-5-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is ZGEGZJDRLHNBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c1-6(15)10-12-4-7(17-10)5-14-3-2-8(13-14)9(11)16/h2-4H,5H2,1H3,(H2,11,16).
What are the key properties of 1-[(2-acetyl-1,3-oxazol-5-yl)methyl]pyrazole-3-carboxamide?
1-[(2-acetyl-1,3-oxazol-5-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 234.22 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-acetyl-1,3-oxazol-5-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 70864555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).