3-[4-(hydroxymethyl)phenyl]-1,2-oxazole-5-carboxamide

C11H10N2O3 — CID 90202510

IUPAC3-[4-(hydroxymethyl)phenyl]-1,2-oxazole-5-carboxamide
SMILESNC(=O)c1cc(-c2ccc(CO)cc2)no1
InChIInChI=1S/C11H10N2O3/c12-11(15)10-5-9(13-16-10)8-3-1-7(6-14)2-4-8/h1-5,14H,6H2,(H2,12,15)
InChIKeyHBTOLRGUSUUFOO-UHFFFAOYSA-N
MW218.21 g/mol
LogP0.93
Rot. Bonds3

About 3-[4-(hydroxymethyl)phenyl]-1,2-oxazole-5-carboxamide

3-[4-(hydroxymethyl)phenyl]-1,2-oxazole-5-carboxamide (PubChem CID 90202510) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 3-[4-(hydroxymethyl)phenyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-[4-(hydroxymethyl)phenyl]-1,2-oxazole-5-carboxamide
PubChem CID90202510
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name3-[4-(hydroxymethyl)phenyl]-1,2-oxazole-5-carboxamide
SMILESNC(=O)c1cc(-c2ccc(CO)cc2)no1
InChIInChI=1S/C11H10N2O3/c12-11(15)10-5-9(13-16-10)8-3-1-7(6-14)2-4-8/h1-5,14H,6H2,(H2,12,15)
InChIKeyHBTOLRGUSUUFOO-UHFFFAOYSA-N
XLogP0.93
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(hydroxymethyl)phenyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-[4-(hydroxymethyl)phenyl]-1,2-oxazole-5-carboxamide (CID 90202510) is 3-[4-(hydroxymethyl)phenyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-[4-(hydroxymethyl)phenyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-[4-(hydroxymethyl)phenyl]-1,2-oxazole-5-carboxamide is NC(=O)c1cc(-c2ccc(CO)cc2)no1.
What is the InChIKey of 3-[4-(hydroxymethyl)phenyl]-1,2-oxazole-5-carboxamide?
The InChIKey is HBTOLRGUSUUFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c12-11(15)10-5-9(13-16-10)8-3-1-7(6-14)2-4-8/h1-5,14H,6H2,(H2,12,15).
What are the key properties of 3-[4-(hydroxymethyl)phenyl]-1,2-oxazole-5-carboxamide?
3-[4-(hydroxymethyl)phenyl]-1,2-oxazole-5-carboxamide has a molecular weight of 218.21 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(hydroxymethyl)phenyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 90202510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).