5-(1-aminoethyl)-N-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-amine

C11H13FN4O — CID 106968215

IUPAC5-(1-aminoethyl)-N-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-amine
SMILESCc1ccc(F)cc1Nc1nnc(C(C)N)o1
InChIInChI=1S/C11H13FN4O/c1-6-3-4-8(12)5-9(6)14-11-16-15-10(17-11)7(2)13/h3-5,7H,13H2,1-2H3,(H,14,16)
InChIKeyMBMMKKNWPDYLHQ-UHFFFAOYSA-N
MW236.25 g/mol
LogP2.28
Rot. Bonds3

About 5-(1-aminoethyl)-N-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-amine

5-(1-aminoethyl)-N-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106968215) has the molecular formula C11H13FN4O and a molecular weight of 236.25 g/mol. Its IUPAC name is 5-(1-aminoethyl)-N-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(1-aminoethyl)-N-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-amine
PubChem CID106968215
Molecular FormulaC11H13FN4O
Molecular Weight236.25 g/mol
Exact Mass236.11
IUPAC Name5-(1-aminoethyl)-N-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-amine
SMILESCc1ccc(F)cc1Nc1nnc(C(C)N)o1
InChIInChI=1S/C11H13FN4O/c1-6-3-4-8(12)5-9(6)14-11-16-15-10(17-11)7(2)13/h3-5,7H,13H2,1-2H3,(H,14,16)
InChIKeyMBMMKKNWPDYLHQ-UHFFFAOYSA-N
XLogP2.28
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-N-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(1-aminoethyl)-N-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-amine (CID 106968215) is 5-(1-aminoethyl)-N-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(1-aminoethyl)-N-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(1-aminoethyl)-N-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-amine is Cc1ccc(F)cc1Nc1nnc(C(C)N)o1.
What is the InChIKey of 5-(1-aminoethyl)-N-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is MBMMKKNWPDYLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O/c1-6-3-4-8(12)5-9(6)14-11-16-15-10(17-11)7(2)13/h3-5,7H,13H2,1-2H3,(H,14,16).
What are the key properties of 5-(1-aminoethyl)-N-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-amine?
5-(1-aminoethyl)-N-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 236.25 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-N-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106968215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).