N-[[5-[(1E,3Z)-hexa-1,3,5-trienyl]-1,2,4-oxadiazol-3-yl]methyl]formamide

C10H11N3O2 — CID 146358347

IUPACN-[[5-[(1E,3Z)-hexa-1,3,5-trienyl]-1,2,4-oxadiazol-3-yl]methyl]formamide
SMILESC=C/C=C\C=C\c1nc(CNC=O)no1
InChIInChI=1S/C10H11N3O2/c1-2-3-4-5-6-10-12-9(13-15-10)7-11-8-14/h2-6,8H,1,7H2,(H,11,14)/b4-3-,6-5+
InChIKeyRBSUFPQTCRBOAI-DNVGVPOPSA-N
MW205.22 g/mol
LogP1.07
Rot. Bonds6

About N-[[5-[(1E,3Z)-hexa-1,3,5-trienyl]-1,2,4-oxadiazol-3-yl]methyl]formamide

N-[[5-[(1E,3Z)-hexa-1,3,5-trienyl]-1,2,4-oxadiazol-3-yl]methyl]formamide (PubChem CID 146358347) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is N-[[5-[(1E,3Z)-hexa-1,3,5-trienyl]-1,2,4-oxadiazol-3-yl]methyl]formamide.

Molecular Properties

Compound NameN-[[5-[(1E,3Z)-hexa-1,3,5-trienyl]-1,2,4-oxadiazol-3-yl]methyl]formamide
PubChem CID146358347
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC NameN-[[5-[(1E,3Z)-hexa-1,3,5-trienyl]-1,2,4-oxadiazol-3-yl]methyl]formamide
SMILESC=C/C=C\C=C\c1nc(CNC=O)no1
InChIInChI=1S/C10H11N3O2/c1-2-3-4-5-6-10-12-9(13-15-10)7-11-8-14/h2-6,8H,1,7H2,(H,11,14)/b4-3-,6-5+
InChIKeyRBSUFPQTCRBOAI-DNVGVPOPSA-N
XLogP1.07
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(1E,3Z)-hexa-1,3,5-trienyl]-1,2,4-oxadiazol-3-yl]methyl]formamide?
The IUPAC name of N-[[5-[(1E,3Z)-hexa-1,3,5-trienyl]-1,2,4-oxadiazol-3-yl]methyl]formamide (CID 146358347) is N-[[5-[(1E,3Z)-hexa-1,3,5-trienyl]-1,2,4-oxadiazol-3-yl]methyl]formamide.
What is the SMILES notation for N-[[5-[(1E,3Z)-hexa-1,3,5-trienyl]-1,2,4-oxadiazol-3-yl]methyl]formamide?
The canonical SMILES for N-[[5-[(1E,3Z)-hexa-1,3,5-trienyl]-1,2,4-oxadiazol-3-yl]methyl]formamide is C=C/C=C\C=C\c1nc(CNC=O)no1.
What is the InChIKey of N-[[5-[(1E,3Z)-hexa-1,3,5-trienyl]-1,2,4-oxadiazol-3-yl]methyl]formamide?
The InChIKey is RBSUFPQTCRBOAI-DNVGVPOPSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-2-3-4-5-6-10-12-9(13-15-10)7-11-8-14/h2-6,8H,1,7H2,(H,11,14)/b4-3-,6-5+.
What are the key properties of N-[[5-[(1E,3Z)-hexa-1,3,5-trienyl]-1,2,4-oxadiazol-3-yl]methyl]formamide?
N-[[5-[(1E,3Z)-hexa-1,3,5-trienyl]-1,2,4-oxadiazol-3-yl]methyl]formamide has a molecular weight of 205.22 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(1E,3Z)-hexa-1,3,5-trienyl]-1,2,4-oxadiazol-3-yl]methyl]formamide is sourced from PubChem (CID 146358347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).