5-(1,2-oxazol-5-ylmethylcarbamoyl)furan-2-carboxylic acid

C10H8N2O5 — CID 106422064

IUPAC5-(1,2-oxazol-5-ylmethylcarbamoyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)NCc2ccno2)o1
InChIInChI=1S/C10H8N2O5/c13-9(11-5-6-3-4-12-17-6)7-1-2-8(16-7)10(14)15/h1-4H,5H2,(H,11,13)(H,14,15)
InChIKeySGTJNECIILRYKO-UHFFFAOYSA-N
MW236.18 g/mol
LogP0.90
Rot. Bonds4

About 5-(1,2-oxazol-5-ylmethylcarbamoyl)furan-2-carboxylic acid

5-(1,2-oxazol-5-ylmethylcarbamoyl)furan-2-carboxylic acid (PubChem CID 106422064) has the molecular formula C10H8N2O5 and a molecular weight of 236.18 g/mol. Its IUPAC name is 5-(1,2-oxazol-5-ylmethylcarbamoyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(1,2-oxazol-5-ylmethylcarbamoyl)furan-2-carboxylic acid
PubChem CID106422064
Molecular FormulaC10H8N2O5
Molecular Weight236.18 g/mol
Exact Mass236.04
IUPAC Name5-(1,2-oxazol-5-ylmethylcarbamoyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)NCc2ccno2)o1
InChIInChI=1S/C10H8N2O5/c13-9(11-5-6-3-4-12-17-6)7-1-2-8(16-7)10(14)15/h1-4H,5H2,(H,11,13)(H,14,15)
InChIKeySGTJNECIILRYKO-UHFFFAOYSA-N
XLogP0.90
TPSA105.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.18
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,2-oxazol-5-ylmethylcarbamoyl)benzoic acid
CID 106422079
N-(1,2-oxazol-5-ylmethyl)acetamide
CID 103939766
5-(1,2-oxazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 114186827
4-(1,2-oxazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 106422085
3-fluoro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide
CID 104600458
N-(1,2-oxazol-5-ylmethyl)pyridine-2-carboxamide
CID 140748316
3-amino-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106413441
5-[(1,2-oxazol-5-ylmethylamino)methyl]-1-benzofuran-2-carboxylic acid
CID 106419864
N-(1,2-oxazol-5-ylmethyl)-2-sulfanylbenzamide
CID 106423406
2-amino-4,5-difluoro-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 114185706
4-carbamothioyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 114186280
6-(1,2-oxazol-5-ylmethylamino)-6-oxohexanoic acid
CID 106414801

Frequently Asked Questions

What is the IUPAC name of 5-(1,2-oxazol-5-ylmethylcarbamoyl)furan-2-carboxylic acid?
The IUPAC name of 5-(1,2-oxazol-5-ylmethylcarbamoyl)furan-2-carboxylic acid (CID 106422064) is 5-(1,2-oxazol-5-ylmethylcarbamoyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(1,2-oxazol-5-ylmethylcarbamoyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(1,2-oxazol-5-ylmethylcarbamoyl)furan-2-carboxylic acid is O=C(O)c1ccc(C(=O)NCc2ccno2)o1.
What is the InChIKey of 5-(1,2-oxazol-5-ylmethylcarbamoyl)furan-2-carboxylic acid?
The InChIKey is SGTJNECIILRYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O5/c13-9(11-5-6-3-4-12-17-6)7-1-2-8(16-7)10(14)15/h1-4H,5H2,(H,11,13)(H,14,15).
What are the key properties of 5-(1,2-oxazol-5-ylmethylcarbamoyl)furan-2-carboxylic acid?
5-(1,2-oxazol-5-ylmethylcarbamoyl)furan-2-carboxylic acid has a molecular weight of 236.18 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-oxazol-5-ylmethylcarbamoyl)furan-2-carboxylic acid is sourced from PubChem (CID 106422064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).