N-benzyl-1,2-oxazole-5-carboxamide

C11H10N2O2 — CID 91004792

IUPACN-benzyl-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccccc1)c1ccno1
InChIInChI=1S/C11H10N2O2/c14-11(10-6-7-13-15-10)12-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,14)
InChIKeyDXWZXERUKHTNGF-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.60
Rot. Bonds3

About N-benzyl-1,2-oxazole-5-carboxamide

N-benzyl-1,2-oxazole-5-carboxamide (PubChem CID 91004792) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is N-benzyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-1,2-oxazole-5-carboxamide
PubChem CID91004792
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC NameN-benzyl-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccccc1)c1ccno1
InChIInChI=1S/C11H10N2O2/c14-11(10-6-7-13-15-10)12-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,14)
InChIKeyDXWZXERUKHTNGF-UHFFFAOYSA-N
XLogP1.60
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-benzyl-1,2-oxazole-5-carboxamide (CID 91004792) is N-benzyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-benzyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-benzyl-1,2-oxazole-5-carboxamide is O=C(NCc1ccccc1)c1ccno1.
What is the InChIKey of N-benzyl-1,2-oxazole-5-carboxamide?
The InChIKey is DXWZXERUKHTNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c14-11(10-6-7-13-15-10)12-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,14).
What are the key properties of N-benzyl-1,2-oxazole-5-carboxamide?
N-benzyl-1,2-oxazole-5-carboxamide has a molecular weight of 202.21 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 91004792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).