3-(2-aminoethoxy)-5-chloro-1,2-benzoxazole-7-carboxamide

C10H10ClN3O3 — CID 18696123

IUPAC3-(2-aminoethoxy)-5-chloro-1,2-benzoxazole-7-carboxamide
SMILESNCCOc1noc2c(C(N)=O)cc(Cl)cc12
InChIInChI=1S/C10H10ClN3O3/c11-5-3-6(9(13)15)8-7(4-5)10(14-17-8)16-2-1-12/h3-4H,1-2,12H2,(H2,13,15)
InChIKeySSDHPQVISDZUQA-UHFFFAOYSA-N
MW255.66 g/mol
LogP0.92
Rot. Bonds4

About 3-(2-aminoethoxy)-5-chloro-1,2-benzoxazole-7-carboxamide

3-(2-aminoethoxy)-5-chloro-1,2-benzoxazole-7-carboxamide (PubChem CID 18696123) has the molecular formula C10H10ClN3O3 and a molecular weight of 255.66 g/mol. Its IUPAC name is 3-(2-aminoethoxy)-5-chloro-1,2-benzoxazole-7-carboxamide.

Molecular Properties

Compound Name3-(2-aminoethoxy)-5-chloro-1,2-benzoxazole-7-carboxamide
PubChem CID18696123
Molecular FormulaC10H10ClN3O3
Molecular Weight255.66 g/mol
Exact Mass255.04
IUPAC Name3-(2-aminoethoxy)-5-chloro-1,2-benzoxazole-7-carboxamide
SMILESNCCOc1noc2c(C(N)=O)cc(Cl)cc12
InChIInChI=1S/C10H10ClN3O3/c11-5-3-6(9(13)15)8-7(4-5)10(14-17-8)16-2-1-12/h3-4H,1-2,12H2,(H2,13,15)
InChIKeySSDHPQVISDZUQA-UHFFFAOYSA-N
XLogP0.92
TPSA104.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.66
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethoxy)-5-chloro-1,2-benzoxazole-7-carboxamide?
The IUPAC name of 3-(2-aminoethoxy)-5-chloro-1,2-benzoxazole-7-carboxamide (CID 18696123) is 3-(2-aminoethoxy)-5-chloro-1,2-benzoxazole-7-carboxamide.
What is the SMILES notation for 3-(2-aminoethoxy)-5-chloro-1,2-benzoxazole-7-carboxamide?
The canonical SMILES for 3-(2-aminoethoxy)-5-chloro-1,2-benzoxazole-7-carboxamide is NCCOc1noc2c(C(N)=O)cc(Cl)cc12.
What is the InChIKey of 3-(2-aminoethoxy)-5-chloro-1,2-benzoxazole-7-carboxamide?
The InChIKey is SSDHPQVISDZUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O3/c11-5-3-6(9(13)15)8-7(4-5)10(14-17-8)16-2-1-12/h3-4H,1-2,12H2,(H2,13,15).
What are the key properties of 3-(2-aminoethoxy)-5-chloro-1,2-benzoxazole-7-carboxamide?
3-(2-aminoethoxy)-5-chloro-1,2-benzoxazole-7-carboxamide has a molecular weight of 255.66 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethoxy)-5-chloro-1,2-benzoxazole-7-carboxamide is sourced from PubChem (CID 18696123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).