N-(2-aminoethyl)-1,2-oxazole-5-carboxamide

C6H9N3O2 — CID 60966581

IUPACN-(2-aminoethyl)-1,2-oxazole-5-carboxamide
SMILESNCCNC(=O)c1ccno1
InChIInChI=1S/C6H9N3O2/c7-2-4-8-6(10)5-1-3-9-11-5/h1,3H,2,4,7H2,(H,8,10)
InChIKeyWJLJRRABKPMKAE-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.64
Rot. Bonds3

About N-(2-aminoethyl)-1,2-oxazole-5-carboxamide

N-(2-aminoethyl)-1,2-oxazole-5-carboxamide (PubChem CID 60966581) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is N-(2-aminoethyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1,2-oxazole-5-carboxamide
PubChem CID60966581
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC NameN-(2-aminoethyl)-1,2-oxazole-5-carboxamide
SMILESNCCNC(=O)c1ccno1
InChIInChI=1S/C6H9N3O2/c7-2-4-8-6(10)5-1-3-9-11-5/h1,3H,2,4,7H2,(H,8,10)
InChIKeyWJLJRRABKPMKAE-UHFFFAOYSA-N
XLogP-0.64
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1,2-oxazole-5-carboxamide (CID 60966581) is N-(2-aminoethyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1,2-oxazole-5-carboxamide is NCCNC(=O)c1ccno1.
What is the InChIKey of N-(2-aminoethyl)-1,2-oxazole-5-carboxamide?
The InChIKey is WJLJRRABKPMKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c7-2-4-8-6(10)5-1-3-9-11-5/h1,3H,2,4,7H2,(H,8,10).
What are the key properties of N-(2-aminoethyl)-1,2-oxazole-5-carboxamide?
N-(2-aminoethyl)-1,2-oxazole-5-carboxamide has a molecular weight of 155.16 g/mol, XLogP of -0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 60966581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).