4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine

C14H16FN3O — CID 62716116

IUPAC4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESNC1CCC(c2nc(-c3ccccc3F)no2)CC1
InChIInChI=1S/C14H16FN3O/c15-12-4-2-1-3-11(12)13-17-14(19-18-13)9-5-7-10(16)8-6-9/h1-4,9-10H,5-8,16H2
InChIKeyDVXKCKBEYGICII-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.86
Rot. Bonds2

About 4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine

4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (PubChem CID 62716116) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
PubChem CID62716116
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESNC1CCC(c2nc(-c3ccccc3F)no2)CC1
InChIInChI=1S/C14H16FN3O/c15-12-4-2-1-3-11(12)13-17-14(19-18-13)9-5-7-10(16)8-6-9/h1-4,9-10H,5-8,16H2
InChIKeyDVXKCKBEYGICII-UHFFFAOYSA-N
XLogP2.86
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The IUPAC name of 4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (CID 62716116) is 4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The canonical SMILES for 4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is NC1CCC(c2nc(-c3ccccc3F)no2)CC1.
What is the InChIKey of 4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The InChIKey is DVXKCKBEYGICII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c15-12-4-2-1-3-11(12)13-17-14(19-18-13)9-5-7-10(16)8-6-9/h1-4,9-10H,5-8,16H2.
What are the key properties of 4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine has a molecular weight of 261.30 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is sourced from PubChem (CID 62716116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).