3-(2-aminoethoxy)-1,2-benzoxazole-4-carboxamide

C10H11N3O3 — CID 18696060

IUPAC3-(2-aminoethoxy)-1,2-benzoxazole-4-carboxamide
SMILESNCCOc1noc2cccc(C(N)=O)c12
InChIInChI=1S/C10H11N3O3/c11-4-5-15-10-8-6(9(12)14)2-1-3-7(8)16-13-10/h1-3H,4-5,11H2,(H2,12,14)
InChIKeyNPTLWTPLLTXUDO-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.26
Rot. Bonds4

About 3-(2-aminoethoxy)-1,2-benzoxazole-4-carboxamide

3-(2-aminoethoxy)-1,2-benzoxazole-4-carboxamide (PubChem CID 18696060) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 3-(2-aminoethoxy)-1,2-benzoxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-aminoethoxy)-1,2-benzoxazole-4-carboxamide
PubChem CID18696060
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name3-(2-aminoethoxy)-1,2-benzoxazole-4-carboxamide
SMILESNCCOc1noc2cccc(C(N)=O)c12
InChIInChI=1S/C10H11N3O3/c11-4-5-15-10-8-6(9(12)14)2-1-3-7(8)16-13-10/h1-3H,4-5,11H2,(H2,12,14)
InChIKeyNPTLWTPLLTXUDO-UHFFFAOYSA-N
XLogP0.26
TPSA104.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethoxy)-1,2-benzoxazole-4-carboxamide?
The IUPAC name of 3-(2-aminoethoxy)-1,2-benzoxazole-4-carboxamide (CID 18696060) is 3-(2-aminoethoxy)-1,2-benzoxazole-4-carboxamide.
What is the SMILES notation for 3-(2-aminoethoxy)-1,2-benzoxazole-4-carboxamide?
The canonical SMILES for 3-(2-aminoethoxy)-1,2-benzoxazole-4-carboxamide is NCCOc1noc2cccc(C(N)=O)c12.
What is the InChIKey of 3-(2-aminoethoxy)-1,2-benzoxazole-4-carboxamide?
The InChIKey is NPTLWTPLLTXUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c11-4-5-15-10-8-6(9(12)14)2-1-3-7(8)16-13-10/h1-3H,4-5,11H2,(H2,12,14).
What are the key properties of 3-(2-aminoethoxy)-1,2-benzoxazole-4-carboxamide?
3-(2-aminoethoxy)-1,2-benzoxazole-4-carboxamide has a molecular weight of 221.22 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethoxy)-1,2-benzoxazole-4-carboxamide is sourced from PubChem (CID 18696060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).