5-[(3-carbamoylpyrazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid

C9H8N4O4 — CID 64779752

IUPAC5-[(3-carbamoylpyrazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
SMILESNC(=O)c1ccn(Cc2cc(C(=O)O)no2)n1
InChIInChI=1S/C9H8N4O4/c10-8(14)6-1-2-13(11-6)4-5-3-7(9(15)16)12-17-5/h1-3H,4H2,(H2,10,14)(H,15,16)
InChIKeyYILNFWJWXZXULS-UHFFFAOYSA-N
MW236.19 g/mol
LogP-0.28
Rot. Bonds4

About 5-[(3-carbamoylpyrazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid

5-[(3-carbamoylpyrazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 64779752) has the molecular formula C9H8N4O4 and a molecular weight of 236.19 g/mol. Its IUPAC name is 5-[(3-carbamoylpyrazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(3-carbamoylpyrazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
PubChem CID64779752
Molecular FormulaC9H8N4O4
Molecular Weight236.19 g/mol
Exact Mass236.05
IUPAC Name5-[(3-carbamoylpyrazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
SMILESNC(=O)c1ccn(Cc2cc(C(=O)O)no2)n1
InChIInChI=1S/C9H8N4O4/c10-8(14)6-1-2-13(11-6)4-5-3-7(9(15)16)12-17-5/h1-3H,4H2,(H2,10,14)(H,15,16)
InChIKeyYILNFWJWXZXULS-UHFFFAOYSA-N
XLogP-0.28
TPSA124.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-carbamoylpyrazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[(3-carbamoylpyrazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid (CID 64779752) is 5-[(3-carbamoylpyrazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[(3-carbamoylpyrazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[(3-carbamoylpyrazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid is NC(=O)c1ccn(Cc2cc(C(=O)O)no2)n1.
What is the InChIKey of 5-[(3-carbamoylpyrazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is YILNFWJWXZXULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O4/c10-8(14)6-1-2-13(11-6)4-5-3-7(9(15)16)12-17-5/h1-3H,4H2,(H2,10,14)(H,15,16).
What are the key properties of 5-[(3-carbamoylpyrazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid?
5-[(3-carbamoylpyrazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 236.19 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-carbamoylpyrazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 64779752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).