N,N-diethyl-5-ethylimino-3-phenyl-1,2,4-oxadiazol-4-amine

C14H20N4O — CID 70405157

IUPACN,N-diethyl-5-ethylimino-3-phenyl-1,2,4-oxadiazol-4-amine
SMILESCC/N=c1\onc(-c2ccccc2)n1N(CC)CC
InChIInChI=1S/C14H20N4O/c1-4-15-14-18(17(5-2)6-3)13(16-19-14)12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3/b15-14-
InChIKeyHQNSZBMYELCNTB-PFONDFGASA-N
MW260.34 g/mol
LogP2.04
Rot. Bonds5

About N,N-diethyl-5-ethylimino-3-phenyl-1,2,4-oxadiazol-4-amine

N,N-diethyl-5-ethylimino-3-phenyl-1,2,4-oxadiazol-4-amine (PubChem CID 70405157) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N,N-diethyl-5-ethylimino-3-phenyl-1,2,4-oxadiazol-4-amine.

Molecular Properties

Compound NameN,N-diethyl-5-ethylimino-3-phenyl-1,2,4-oxadiazol-4-amine
PubChem CID70405157
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN,N-diethyl-5-ethylimino-3-phenyl-1,2,4-oxadiazol-4-amine
SMILESCC/N=c1\onc(-c2ccccc2)n1N(CC)CC
InChIInChI=1S/C14H20N4O/c1-4-15-14-18(17(5-2)6-3)13(16-19-14)12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3/b15-14-
InChIKeyHQNSZBMYELCNTB-PFONDFGASA-N
XLogP2.04
TPSA46.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-ethylimino-3-phenyl-1,2,4-oxadiazol-4-amine?
The IUPAC name of N,N-diethyl-5-ethylimino-3-phenyl-1,2,4-oxadiazol-4-amine (CID 70405157) is N,N-diethyl-5-ethylimino-3-phenyl-1,2,4-oxadiazol-4-amine.
What is the SMILES notation for N,N-diethyl-5-ethylimino-3-phenyl-1,2,4-oxadiazol-4-amine?
The canonical SMILES for N,N-diethyl-5-ethylimino-3-phenyl-1,2,4-oxadiazol-4-amine is CC/N=c1\onc(-c2ccccc2)n1N(CC)CC.
What is the InChIKey of N,N-diethyl-5-ethylimino-3-phenyl-1,2,4-oxadiazol-4-amine?
The InChIKey is HQNSZBMYELCNTB-PFONDFGASA-N. The full InChI is InChI=1S/C14H20N4O/c1-4-15-14-18(17(5-2)6-3)13(16-19-14)12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3/b15-14-.
What are the key properties of N,N-diethyl-5-ethylimino-3-phenyl-1,2,4-oxadiazol-4-amine?
N,N-diethyl-5-ethylimino-3-phenyl-1,2,4-oxadiazol-4-amine has a molecular weight of 260.34 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-ethylimino-3-phenyl-1,2,4-oxadiazol-4-amine is sourced from PubChem (CID 70405157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).