[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-cyclohexylmethanamine

C15H17ClFN3O — CID 63092258

IUPAC[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-cyclohexylmethanamine
SMILESNC(c1nc(-c2ccc(F)c(Cl)c2)no1)C1CCCCC1
InChIInChI=1S/C15H17ClFN3O/c16-11-8-10(6-7-12(11)17)14-19-15(21-20-14)13(18)9-4-2-1-3-5-9/h6-9,13H,1-5,18H2
InChIKeyAKVYWCSEONFWCQ-UHFFFAOYSA-N
MW309.77 g/mol
LogP4.11
Rot. Bonds3

About [3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-cyclohexylmethanamine

[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-cyclohexylmethanamine (PubChem CID 63092258) has the molecular formula C15H17ClFN3O and a molecular weight of 309.77 g/mol. Its IUPAC name is [3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-cyclohexylmethanamine.

Molecular Properties

Compound Name[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-cyclohexylmethanamine
PubChem CID63092258
Molecular FormulaC15H17ClFN3O
Molecular Weight309.77 g/mol
Exact Mass309.10
IUPAC Name[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-cyclohexylmethanamine
SMILESNC(c1nc(-c2ccc(F)c(Cl)c2)no1)C1CCCCC1
InChIInChI=1S/C15H17ClFN3O/c16-11-8-10(6-7-12(11)17)14-19-15(21-20-14)13(18)9-4-2-1-3-5-9/h6-9,13H,1-5,18H2
InChIKeyAKVYWCSEONFWCQ-UHFFFAOYSA-N
XLogP4.11
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-cyclohexylmethanamine?
The IUPAC name of [3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-cyclohexylmethanamine (CID 63092258) is [3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-cyclohexylmethanamine.
What is the SMILES notation for [3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-cyclohexylmethanamine?
The canonical SMILES for [3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-cyclohexylmethanamine is NC(c1nc(-c2ccc(F)c(Cl)c2)no1)C1CCCCC1.
What is the InChIKey of [3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-cyclohexylmethanamine?
The InChIKey is AKVYWCSEONFWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3O/c16-11-8-10(6-7-12(11)17)14-19-15(21-20-14)13(18)9-4-2-1-3-5-9/h6-9,13H,1-5,18H2.
What are the key properties of [3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-cyclohexylmethanamine?
[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-cyclohexylmethanamine has a molecular weight of 309.77 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-cyclohexylmethanamine is sourced from PubChem (CID 63092258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).