3-amino-N-(2-aminoethyl)-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)benzamide

C15H15N5O2 — CID 143408505

IUPAC3-amino-N-(2-aminoethyl)-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)benzamide
SMILESNCCNC(=O)c1cc(N)cc(-c2nc3ncccc3o2)c1
InChIInChI=1S/C15H15N5O2/c16-3-5-19-14(21)9-6-10(8-11(17)7-9)15-20-13-12(22-15)2-1-4-18-13/h1-2,4,6-8H,3,5,16-17H2,(H,19,21)
InChIKeyNFMHHAGEBDWVEB-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.16
Rot. Bonds4

About 3-amino-N-(2-aminoethyl)-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)benzamide

3-amino-N-(2-aminoethyl)-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)benzamide (PubChem CID 143408505) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 3-amino-N-(2-aminoethyl)-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)benzamide.

Molecular Properties

Compound Name3-amino-N-(2-aminoethyl)-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)benzamide
PubChem CID143408505
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name3-amino-N-(2-aminoethyl)-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)benzamide
SMILESNCCNC(=O)c1cc(N)cc(-c2nc3ncccc3o2)c1
InChIInChI=1S/C15H15N5O2/c16-3-5-19-14(21)9-6-10(8-11(17)7-9)15-20-13-12(22-15)2-1-4-18-13/h1-2,4,6-8H,3,5,16-17H2,(H,19,21)
InChIKeyNFMHHAGEBDWVEB-UHFFFAOYSA-N
XLogP1.16
TPSA120.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-aminoethyl)-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)benzamide?
The IUPAC name of 3-amino-N-(2-aminoethyl)-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)benzamide (CID 143408505) is 3-amino-N-(2-aminoethyl)-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)benzamide.
What is the SMILES notation for 3-amino-N-(2-aminoethyl)-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)benzamide?
The canonical SMILES for 3-amino-N-(2-aminoethyl)-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)benzamide is NCCNC(=O)c1cc(N)cc(-c2nc3ncccc3o2)c1.
What is the InChIKey of 3-amino-N-(2-aminoethyl)-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)benzamide?
The InChIKey is NFMHHAGEBDWVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c16-3-5-19-14(21)9-6-10(8-11(17)7-9)15-20-13-12(22-15)2-1-4-18-13/h1-2,4,6-8H,3,5,16-17H2,(H,19,21).
What are the key properties of 3-amino-N-(2-aminoethyl)-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)benzamide?
3-amino-N-(2-aminoethyl)-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)benzamide has a molecular weight of 297.32 g/mol, XLogP of 1.16, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-aminoethyl)-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)benzamide is sourced from PubChem (CID 143408505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).