5-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-benzofuran-2-carboxamide

C13H12N4O3 — CID 106391489

IUPAC5-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-benzofuran-2-carboxamide
SMILESNc1ccc2oc(C(=O)NCCc3ncno3)cc2c1
InChIInChI=1S/C13H12N4O3/c14-9-1-2-10-8(5-9)6-11(19-10)13(18)15-4-3-12-16-7-17-20-12/h1-2,5-7H,3-4,14H2,(H,15,18)
InChIKeyULUPNDUFTCWLMA-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.37
Rot. Bonds4

About 5-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-benzofuran-2-carboxamide

5-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-benzofuran-2-carboxamide (PubChem CID 106391489) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is 5-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-benzofuran-2-carboxamide
PubChem CID106391489
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC Name5-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-benzofuran-2-carboxamide
SMILESNc1ccc2oc(C(=O)NCCc3ncno3)cc2c1
InChIInChI=1S/C13H12N4O3/c14-9-1-2-10-8(5-9)6-11(19-10)13(18)15-4-3-12-16-7-17-20-12/h1-2,5-7H,3-4,14H2,(H,15,18)
InChIKeyULUPNDUFTCWLMA-UHFFFAOYSA-N
XLogP1.37
TPSA107.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106391581
2-amino-5-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 114184224
3-(3-aminophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 106391534
5-amino-N-octyl-1-benzofuran-2-carboxamide
CID 115565943
4-amino-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106391499
5-amino-N-[2-(methanesulfonamido)ethyl]-1-benzofuran-2-carboxamide
CID 61095225
4-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2-carboxamide
CID 103743986
2-amino-5-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106391609
5-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 106368573
5-amino-N-(2-cyclopentylethyl)-1-benzofuran-2-carboxamide
CID 61102723
tert-butyl N-[2-[(5-amino-1-benzofuran-2-carbonyl)amino]ethyl]carbamate
CID 104932643
5-amino-N-(1,2-oxazol-3-ylmethyl)-1-benzofuran-2-carboxamide
CID 81170503

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-benzofuran-2-carboxamide (CID 106391489) is 5-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-benzofuran-2-carboxamide is Nc1ccc2oc(C(=O)NCCc3ncno3)cc2c1.
What is the InChIKey of 5-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is ULUPNDUFTCWLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3/c14-9-1-2-10-8(5-9)6-11(19-10)13(18)15-4-3-12-16-7-17-20-12/h1-2,5-7H,3-4,14H2,(H,15,18).
What are the key properties of 5-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-benzofuran-2-carboxamide?
5-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 272.26 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 106391489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).