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

C13H16FN3O — CID 75498284

IUPACN-[(2-fluoro-5-methylphenyl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine
SMILESCCCc1nnc(NCc2cc(C)ccc2F)o1
InChIInChI=1S/C13H16FN3O/c1-3-4-12-16-17-13(18-12)15-8-10-7-9(2)5-6-11(10)14/h5-7H,3-4,8H2,1-2H3,(H,15,17)
InChIKeyITEYJYCYROPMGC-UHFFFAOYSA-N
MW249.29 g/mol
LogP3.08
Rot. Bonds5

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

N-[(2-fluoro-5-methylphenyl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine (PubChem CID 75498284) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is N-[(2-fluoro-5-methylphenyl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(2-fluoro-5-methylphenyl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine
PubChem CID75498284
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC NameN-[(2-fluoro-5-methylphenyl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine
SMILESCCCc1nnc(NCc2cc(C)ccc2F)o1
InChIInChI=1S/C13H16FN3O/c1-3-4-12-16-17-13(18-12)15-8-10-7-9(2)5-6-11(10)14/h5-7H,3-4,8H2,1-2H3,(H,15,17)
InChIKeyITEYJYCYROPMGC-UHFFFAOYSA-N
XLogP3.08
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-5-methylphenyl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(2-fluoro-5-methylphenyl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine (CID 75498284) is N-[(2-fluoro-5-methylphenyl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(2-fluoro-5-methylphenyl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(2-fluoro-5-methylphenyl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine is CCCc1nnc(NCc2cc(C)ccc2F)o1.
What is the InChIKey of N-[(2-fluoro-5-methylphenyl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine?
The InChIKey is ITEYJYCYROPMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-3-4-12-16-17-13(18-12)15-8-10-7-9(2)5-6-11(10)14/h5-7H,3-4,8H2,1-2H3,(H,15,17).
What are the key properties of N-[(2-fluoro-5-methylphenyl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine?
N-[(2-fluoro-5-methylphenyl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine has a molecular weight of 249.29 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-5-methylphenyl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 75498284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).