N-(2-fluoro-4-methylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine

C12H15FN4O — CID 106967237

IUPACN-(2-fluoro-4-methylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCNC(C)c1nnc(Nc2ccc(C)cc2F)o1
InChIInChI=1S/C12H15FN4O/c1-7-4-5-10(9(13)6-7)15-12-17-16-11(18-12)8(2)14-3/h4-6,8,14H,1-3H3,(H,15,17)
InChIKeyQYKNAZHRYXGMDC-UHFFFAOYSA-N
MW250.28 g/mol
LogP2.54
Rot. Bonds4

About N-(2-fluoro-4-methylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine

N-(2-fluoro-4-methylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106967237) has the molecular formula C12H15FN4O and a molecular weight of 250.28 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID106967237
Molecular FormulaC12H15FN4O
Molecular Weight250.28 g/mol
Exact Mass250.12
IUPAC NameN-(2-fluoro-4-methylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCNC(C)c1nnc(Nc2ccc(C)cc2F)o1
InChIInChI=1S/C12H15FN4O/c1-7-4-5-10(9(13)6-7)15-12-17-16-11(18-12)8(2)14-3/h4-6,8,14H,1-3H3,(H,15,17)
InChIKeyQYKNAZHRYXGMDC-UHFFFAOYSA-N
XLogP2.54
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine (CID 106967237) is N-(2-fluoro-4-methylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine is CNC(C)c1nnc(Nc2ccc(C)cc2F)o1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is QYKNAZHRYXGMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O/c1-7-4-5-10(9(13)6-7)15-12-17-16-11(18-12)8(2)14-3/h4-6,8,14H,1-3H3,(H,15,17).
What are the key properties of N-(2-fluoro-4-methylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine?
N-(2-fluoro-4-methylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 250.28 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106967237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).