2-N-(4-ethylphenyl)-2-N-methyl-1,3,4-oxadiazole-2,5-diamine

C11H14N4O — CID 103436823

IUPAC2-N-(4-ethylphenyl)-2-N-methyl-1,3,4-oxadiazole-2,5-diamine
SMILESCCc1ccc(N(C)c2nnc(N)o2)cc1
InChIInChI=1S/C11H14N4O/c1-3-8-4-6-9(7-5-8)15(2)11-14-13-10(12)16-11/h4-7H,3H2,1-2H3,(H2,12,13)
InChIKeyQKFBXPLXFLVXCY-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.98
Rot. Bonds3

About 2-N-(4-ethylphenyl)-2-N-methyl-1,3,4-oxadiazole-2,5-diamine

2-N-(4-ethylphenyl)-2-N-methyl-1,3,4-oxadiazole-2,5-diamine (PubChem CID 103436823) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-N-(4-ethylphenyl)-2-N-methyl-1,3,4-oxadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(4-ethylphenyl)-2-N-methyl-1,3,4-oxadiazole-2,5-diamine
PubChem CID103436823
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name2-N-(4-ethylphenyl)-2-N-methyl-1,3,4-oxadiazole-2,5-diamine
SMILESCCc1ccc(N(C)c2nnc(N)o2)cc1
InChIInChI=1S/C11H14N4O/c1-3-8-4-6-9(7-5-8)15(2)11-14-13-10(12)16-11/h4-7H,3H2,1-2H3,(H2,12,13)
InChIKeyQKFBXPLXFLVXCY-UHFFFAOYSA-N
XLogP1.98
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-ethylphenyl)-2-N-methyl-1,3,4-oxadiazole-2,5-diamine?
The IUPAC name of 2-N-(4-ethylphenyl)-2-N-methyl-1,3,4-oxadiazole-2,5-diamine (CID 103436823) is 2-N-(4-ethylphenyl)-2-N-methyl-1,3,4-oxadiazole-2,5-diamine.
What is the SMILES notation for 2-N-(4-ethylphenyl)-2-N-methyl-1,3,4-oxadiazole-2,5-diamine?
The canonical SMILES for 2-N-(4-ethylphenyl)-2-N-methyl-1,3,4-oxadiazole-2,5-diamine is CCc1ccc(N(C)c2nnc(N)o2)cc1.
What is the InChIKey of 2-N-(4-ethylphenyl)-2-N-methyl-1,3,4-oxadiazole-2,5-diamine?
The InChIKey is QKFBXPLXFLVXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-3-8-4-6-9(7-5-8)15(2)11-14-13-10(12)16-11/h4-7H,3H2,1-2H3,(H2,12,13).
What are the key properties of 2-N-(4-ethylphenyl)-2-N-methyl-1,3,4-oxadiazole-2,5-diamine?
2-N-(4-ethylphenyl)-2-N-methyl-1,3,4-oxadiazole-2,5-diamine has a molecular weight of 218.26 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-ethylphenyl)-2-N-methyl-1,3,4-oxadiazole-2,5-diamine is sourced from PubChem (CID 103436823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).