1-[3-ethyl-2-[(E)-2-(5-methyl-1,3-oxazol-2-yl)ethenyl]phenyl]-1-methylhydrazine;formohydrazide

C16H23N5O2 — CID 144837899

IUPAC1-[3-ethyl-2-[(E)-2-(5-methyl-1,3-oxazol-2-yl)ethenyl]phenyl]-1-methylhydrazine;formohydrazide
SMILESCCc1cccc(N(C)N)c1/C=C/c1ncc(C)o1.NNC=O
InChIInChI=1S/C15H19N3O.CH4N2O/c1-4-12-6-5-7-14(18(3)16)13(12)8-9-15-17-10-11(2)19-15;2-3-1-4/h5-10H,4,16H2,1-3H3;1H,2H2,(H,3,4)/b9-8+;
InChIKeyJBDFAPZIODIOLY-HRNDJLQDSA-N
MW317.39 g/mol
LogP1.63
Rot. Bonds5

About 1-[3-ethyl-2-[(E)-2-(5-methyl-1,3-oxazol-2-yl)ethenyl]phenyl]-1-methylhydrazine;formohydrazide

1-[3-ethyl-2-[(E)-2-(5-methyl-1,3-oxazol-2-yl)ethenyl]phenyl]-1-methylhydrazine;formohydrazide (PubChem CID 144837899) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-[3-ethyl-2-[(E)-2-(5-methyl-1,3-oxazol-2-yl)ethenyl]phenyl]-1-methylhydrazine;formohydrazide.

Molecular Properties

Compound Name1-[3-ethyl-2-[(E)-2-(5-methyl-1,3-oxazol-2-yl)ethenyl]phenyl]-1-methylhydrazine;formohydrazide
PubChem CID144837899
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name1-[3-ethyl-2-[(E)-2-(5-methyl-1,3-oxazol-2-yl)ethenyl]phenyl]-1-methylhydrazine;formohydrazide
SMILESCCc1cccc(N(C)N)c1/C=C/c1ncc(C)o1.NNC=O
InChIInChI=1S/C15H19N3O.CH4N2O/c1-4-12-6-5-7-14(18(3)16)13(12)8-9-15-17-10-11(2)19-15;2-3-1-4/h5-10H,4,16H2,1-3H3;1H,2H2,(H,3,4)/b9-8+;
InChIKeyJBDFAPZIODIOLY-HRNDJLQDSA-N
XLogP1.63
TPSA110.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-2-[(E)-2-(5-methyl-1,3-oxazol-2-yl)ethenyl]phenyl]-1-methylhydrazine;formohydrazide?
The IUPAC name of 1-[3-ethyl-2-[(E)-2-(5-methyl-1,3-oxazol-2-yl)ethenyl]phenyl]-1-methylhydrazine;formohydrazide (CID 144837899) is 1-[3-ethyl-2-[(E)-2-(5-methyl-1,3-oxazol-2-yl)ethenyl]phenyl]-1-methylhydrazine;formohydrazide.
What is the SMILES notation for 1-[3-ethyl-2-[(E)-2-(5-methyl-1,3-oxazol-2-yl)ethenyl]phenyl]-1-methylhydrazine;formohydrazide?
The canonical SMILES for 1-[3-ethyl-2-[(E)-2-(5-methyl-1,3-oxazol-2-yl)ethenyl]phenyl]-1-methylhydrazine;formohydrazide is CCc1cccc(N(C)N)c1/C=C/c1ncc(C)o1.NNC=O.
What is the InChIKey of 1-[3-ethyl-2-[(E)-2-(5-methyl-1,3-oxazol-2-yl)ethenyl]phenyl]-1-methylhydrazine;formohydrazide?
The InChIKey is JBDFAPZIODIOLY-HRNDJLQDSA-N. The full InChI is InChI=1S/C15H19N3O.CH4N2O/c1-4-12-6-5-7-14(18(3)16)13(12)8-9-15-17-10-11(2)19-15;2-3-1-4/h5-10H,4,16H2,1-3H3;1H,2H2,(H,3,4)/b9-8+;.
What are the key properties of 1-[3-ethyl-2-[(E)-2-(5-methyl-1,3-oxazol-2-yl)ethenyl]phenyl]-1-methylhydrazine;formohydrazide?
1-[3-ethyl-2-[(E)-2-(5-methyl-1,3-oxazol-2-yl)ethenyl]phenyl]-1-methylhydrazine;formohydrazide has a molecular weight of 317.39 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-2-[(E)-2-(5-methyl-1,3-oxazol-2-yl)ethenyl]phenyl]-1-methylhydrazine;formohydrazide is sourced from PubChem (CID 144837899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).