5-cycloheptyl-4-(3-fluorophenyl)-1,2-oxazol-3-amine

C16H19FN2O — CID 66199569

IUPAC5-cycloheptyl-4-(3-fluorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(C2CCCCCC2)c1-c1cccc(F)c1
InChIInChI=1S/C16H19FN2O/c17-13-9-5-8-12(10-13)14-15(20-19-16(14)18)11-6-3-1-2-4-7-11/h5,8-11H,1-4,6-7H2,(H2,18,19)
InChIKeyYOVDGHOKELDCCW-UHFFFAOYSA-N
MW274.34 g/mol
LogP4.50
Rot. Bonds2

About 5-cycloheptyl-4-(3-fluorophenyl)-1,2-oxazol-3-amine

5-cycloheptyl-4-(3-fluorophenyl)-1,2-oxazol-3-amine (PubChem CID 66199569) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 5-cycloheptyl-4-(3-fluorophenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-cycloheptyl-4-(3-fluorophenyl)-1,2-oxazol-3-amine
PubChem CID66199569
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name5-cycloheptyl-4-(3-fluorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(C2CCCCCC2)c1-c1cccc(F)c1
InChIInChI=1S/C16H19FN2O/c17-13-9-5-8-12(10-13)14-15(20-19-16(14)18)11-6-3-1-2-4-7-11/h5,8-11H,1-4,6-7H2,(H2,18,19)
InChIKeyYOVDGHOKELDCCW-UHFFFAOYSA-N
XLogP4.50
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cycloheptyl-4-(3-fluorophenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-cycloheptyl-4-(3-fluorophenyl)-1,2-oxazol-3-amine (CID 66199569) is 5-cycloheptyl-4-(3-fluorophenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-cycloheptyl-4-(3-fluorophenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-cycloheptyl-4-(3-fluorophenyl)-1,2-oxazol-3-amine is Nc1noc(C2CCCCCC2)c1-c1cccc(F)c1.
What is the InChIKey of 5-cycloheptyl-4-(3-fluorophenyl)-1,2-oxazol-3-amine?
The InChIKey is YOVDGHOKELDCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c17-13-9-5-8-12(10-13)14-15(20-19-16(14)18)11-6-3-1-2-4-7-11/h5,8-11H,1-4,6-7H2,(H2,18,19).
What are the key properties of 5-cycloheptyl-4-(3-fluorophenyl)-1,2-oxazol-3-amine?
5-cycloheptyl-4-(3-fluorophenyl)-1,2-oxazol-3-amine has a molecular weight of 274.34 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cycloheptyl-4-(3-fluorophenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66199569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).