3-amino-5-benzyl-1,2-oxazole-4-carboxamide

C11H11N3O2 — CID 110171439

IUPAC3-amino-5-benzyl-1,2-oxazole-4-carboxamide
SMILESNC(=O)c1c(N)noc1Cc1ccccc1
InChIInChI=1S/C11H11N3O2/c12-10-9(11(13)15)8(16-14-10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,12,14)(H2,13,15)
InChIKeyXNSMHPBHIZYITK-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.95
Rot. Bonds3

About 3-amino-5-benzyl-1,2-oxazole-4-carboxamide

3-amino-5-benzyl-1,2-oxazole-4-carboxamide (PubChem CID 110171439) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 3-amino-5-benzyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-benzyl-1,2-oxazole-4-carboxamide
PubChem CID110171439
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name3-amino-5-benzyl-1,2-oxazole-4-carboxamide
SMILESNC(=O)c1c(N)noc1Cc1ccccc1
InChIInChI=1S/C11H11N3O2/c12-10-9(11(13)15)8(16-14-10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,12,14)(H2,13,15)
InChIKeyXNSMHPBHIZYITK-UHFFFAOYSA-N
XLogP0.95
TPSA95.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-benzyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-amino-5-benzyl-1,2-oxazole-4-carboxamide (CID 110171439) is 3-amino-5-benzyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-benzyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-amino-5-benzyl-1,2-oxazole-4-carboxamide is NC(=O)c1c(N)noc1Cc1ccccc1.
What is the InChIKey of 3-amino-5-benzyl-1,2-oxazole-4-carboxamide?
The InChIKey is XNSMHPBHIZYITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c12-10-9(11(13)15)8(16-14-10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,12,14)(H2,13,15).
What are the key properties of 3-amino-5-benzyl-1,2-oxazole-4-carboxamide?
3-amino-5-benzyl-1,2-oxazole-4-carboxamide has a molecular weight of 217.23 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-benzyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110171439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).