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

C22H24FN3O — CID 11417225

IUPACN-cyclohexyl-5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCC(c1ccc(-c2ccccc2)c(F)c1)c1nnc(NC2CCCCC2)o1
InChIInChI=1S/C22H24FN3O/c1-15(21-25-26-22(27-21)24-18-10-6-3-7-11-18)17-12-13-19(20(23)14-17)16-8-4-2-5-9-16/h2,4-5,8-9,12-15,18H,3,6-7,10-11H2,1H3,(H,24,26)
InChIKeyBFVDTMNSBVHEAJ-UHFFFAOYSA-N
MW365.45 g/mol
LogP5.77
Rot. Bonds5

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

N-cyclohexyl-5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 11417225) has the molecular formula C22H24FN3O and a molecular weight of 365.45 g/mol. Its IUPAC name is N-cyclohexyl-5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID11417225
Molecular FormulaC22H24FN3O
Molecular Weight365.45 g/mol
Exact Mass365.19
IUPAC NameN-cyclohexyl-5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCC(c1ccc(-c2ccccc2)c(F)c1)c1nnc(NC2CCCCC2)o1
InChIInChI=1S/C22H24FN3O/c1-15(21-25-26-22(27-21)24-18-10-6-3-7-11-18)17-12-13-19(20(23)14-17)16-8-4-2-5-9-16/h2,4-5,8-9,12-15,18H,3,6-7,10-11H2,1H3,(H,24,26)
InChIKeyBFVDTMNSBVHEAJ-UHFFFAOYSA-N
XLogP5.77
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.45
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-cyclohexyl-5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3,4-oxadiazol-2-amine (CID 11417225) is N-cyclohexyl-5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-cyclohexyl-5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-cyclohexyl-5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3,4-oxadiazol-2-amine is CC(c1ccc(-c2ccccc2)c(F)c1)c1nnc(NC2CCCCC2)o1.
What is the InChIKey of N-cyclohexyl-5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is BFVDTMNSBVHEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O/c1-15(21-25-26-22(27-21)24-18-10-6-3-7-11-18)17-12-13-19(20(23)14-17)16-8-4-2-5-9-16/h2,4-5,8-9,12-15,18H,3,6-7,10-11H2,1H3,(H,24,26).
What are the key properties of N-cyclohexyl-5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3,4-oxadiazol-2-amine?
N-cyclohexyl-5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 365.45 g/mol, XLogP of 5.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 11417225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).