N'-amino-N-methyl-N-[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]ethenyl]ethanimidamide

C14H17N5O — CID 145294744

IUPACN'-amino-N-methyl-N-[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]ethenyl]ethanimidamide
SMILESC=C(c1ccc(-c2noc(C)n2)cc1)N(C)/C(C)=N\N
InChIInChI=1S/C14H17N5O/c1-9(19(4)10(2)17-15)12-5-7-13(8-6-12)14-16-11(3)20-18-14/h5-8H,1,15H2,2-4H3/b17-10-
InChIKeyQNWRXRJRYHLSSN-YVLHZVERSA-N
MW271.32 g/mol
LogP2.24
Rot. Bonds3

About N'-amino-N-methyl-N-[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]ethenyl]ethanimidamide

N'-amino-N-methyl-N-[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]ethenyl]ethanimidamide (PubChem CID 145294744) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is N'-amino-N-methyl-N-[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]ethenyl]ethanimidamide.

Molecular Properties

Compound NameN'-amino-N-methyl-N-[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]ethenyl]ethanimidamide
PubChem CID145294744
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC NameN'-amino-N-methyl-N-[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]ethenyl]ethanimidamide
SMILESC=C(c1ccc(-c2noc(C)n2)cc1)N(C)/C(C)=N\N
InChIInChI=1S/C14H17N5O/c1-9(19(4)10(2)17-15)12-5-7-13(8-6-12)14-16-11(3)20-18-14/h5-8H,1,15H2,2-4H3/b17-10-
InChIKeyQNWRXRJRYHLSSN-YVLHZVERSA-N
XLogP2.24
TPSA80.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 N'-amino-N-methyl-N-[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]ethenyl]ethanimidamide?
The IUPAC name of N'-amino-N-methyl-N-[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]ethenyl]ethanimidamide (CID 145294744) is N'-amino-N-methyl-N-[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]ethenyl]ethanimidamide.
What is the SMILES notation for N'-amino-N-methyl-N-[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]ethenyl]ethanimidamide?
The canonical SMILES for N'-amino-N-methyl-N-[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]ethenyl]ethanimidamide is C=C(c1ccc(-c2noc(C)n2)cc1)N(C)/C(C)=N\N.
What is the InChIKey of N'-amino-N-methyl-N-[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]ethenyl]ethanimidamide?
The InChIKey is QNWRXRJRYHLSSN-YVLHZVERSA-N. The full InChI is InChI=1S/C14H17N5O/c1-9(19(4)10(2)17-15)12-5-7-13(8-6-12)14-16-11(3)20-18-14/h5-8H,1,15H2,2-4H3/b17-10-.
What are the key properties of N'-amino-N-methyl-N-[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]ethenyl]ethanimidamide?
N'-amino-N-methyl-N-[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]ethenyl]ethanimidamide has a molecular weight of 271.32 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-N-methyl-N-[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]ethenyl]ethanimidamide is sourced from PubChem (CID 145294744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).