N-(5-ethoxy-3-phenyl-3H-1,2,4-oxadiazol-2-yl)formamide

C11H13N3O3 — CID 70399046

IUPACN-(5-ethoxy-3-phenyl-3H-1,2,4-oxadiazol-2-yl)formamide
SMILESCCOC1=NC(c2ccccc2)N(NC=O)O1
InChIInChI=1S/C11H13N3O3/c1-2-16-11-13-10(14(17-11)12-8-15)9-6-4-3-5-7-9/h3-8,10H,2H2,1H3,(H,12,15)
InChIKeyXFGMRDMWNXYXAN-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.99
Rot. Bonds4

About N-(5-ethoxy-3-phenyl-3H-1,2,4-oxadiazol-2-yl)formamide

N-(5-ethoxy-3-phenyl-3H-1,2,4-oxadiazol-2-yl)formamide (PubChem CID 70399046) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is N-(5-ethoxy-3-phenyl-3H-1,2,4-oxadiazol-2-yl)formamide.

Molecular Properties

Compound NameN-(5-ethoxy-3-phenyl-3H-1,2,4-oxadiazol-2-yl)formamide
PubChem CID70399046
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC NameN-(5-ethoxy-3-phenyl-3H-1,2,4-oxadiazol-2-yl)formamide
SMILESCCOC1=NC(c2ccccc2)N(NC=O)O1
InChIInChI=1S/C11H13N3O3/c1-2-16-11-13-10(14(17-11)12-8-15)9-6-4-3-5-7-9/h3-8,10H,2H2,1H3,(H,12,15)
InChIKeyXFGMRDMWNXYXAN-UHFFFAOYSA-N
XLogP0.99
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethoxy-3-phenyl-3H-1,2,4-oxadiazol-2-yl)formamide?
The IUPAC name of N-(5-ethoxy-3-phenyl-3H-1,2,4-oxadiazol-2-yl)formamide (CID 70399046) is N-(5-ethoxy-3-phenyl-3H-1,2,4-oxadiazol-2-yl)formamide.
What is the SMILES notation for N-(5-ethoxy-3-phenyl-3H-1,2,4-oxadiazol-2-yl)formamide?
The canonical SMILES for N-(5-ethoxy-3-phenyl-3H-1,2,4-oxadiazol-2-yl)formamide is CCOC1=NC(c2ccccc2)N(NC=O)O1.
What is the InChIKey of N-(5-ethoxy-3-phenyl-3H-1,2,4-oxadiazol-2-yl)formamide?
The InChIKey is XFGMRDMWNXYXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-2-16-11-13-10(14(17-11)12-8-15)9-6-4-3-5-7-9/h3-8,10H,2H2,1H3,(H,12,15).
What are the key properties of N-(5-ethoxy-3-phenyl-3H-1,2,4-oxadiazol-2-yl)formamide?
N-(5-ethoxy-3-phenyl-3H-1,2,4-oxadiazol-2-yl)formamide has a molecular weight of 235.24 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethoxy-3-phenyl-3H-1,2,4-oxadiazol-2-yl)formamide is sourced from PubChem (CID 70399046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).