3-(2-methoxyphenyl)-1,2-oxazole-5-carboxamide

C11H10N2O3 — CID 776498

IUPAC3-(2-methoxyphenyl)-1,2-oxazole-5-carboxamide
SMILESCOc1ccccc1-c1cc(C(N)=O)on1
InChIInChI=1S/C11H10N2O3/c1-15-9-5-3-2-4-7(9)8-6-10(11(12)14)16-13-8/h2-6H,1H3,(H2,12,14)
InChIKeyYIXBHZFJEGSPNN-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.45
Rot. Bonds3

About 3-(2-methoxyphenyl)-1,2-oxazole-5-carboxamide

3-(2-methoxyphenyl)-1,2-oxazole-5-carboxamide (PubChem CID 776498) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-1,2-oxazole-5-carboxamide
PubChem CID776498
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name3-(2-methoxyphenyl)-1,2-oxazole-5-carboxamide
SMILESCOc1ccccc1-c1cc(C(N)=O)on1
InChIInChI=1S/C11H10N2O3/c1-15-9-5-3-2-4-7(9)8-6-10(11(12)14)16-13-8/h2-6H,1H3,(H2,12,14)
InChIKeyYIXBHZFJEGSPNN-UHFFFAOYSA-N
XLogP1.45
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2-methoxyphenyl)-1,2-oxazole-5-carboxamide (CID 776498) is 3-(2-methoxyphenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2-methoxyphenyl)-1,2-oxazole-5-carboxamide is COc1ccccc1-c1cc(C(N)=O)on1.
What is the InChIKey of 3-(2-methoxyphenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is YIXBHZFJEGSPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-15-9-5-3-2-4-7(9)8-6-10(11(12)14)16-13-8/h2-6H,1H3,(H2,12,14).
What are the key properties of 3-(2-methoxyphenyl)-1,2-oxazole-5-carboxamide?
3-(2-methoxyphenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 218.21 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 776498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).