5-(2-bicyclo[2.2.1]heptanyl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine

C16H16F2N2O — CID 66201888

IUPAC5-(2-bicyclo[2.2.1]heptanyl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(C2CC3CCC2C3)c1-c1ccc(F)cc1F
InChIInChI=1S/C16H16F2N2O/c17-10-3-4-11(13(18)7-10)14-15(21-20-16(14)19)12-6-8-1-2-9(12)5-8/h3-4,7-9,12H,1-2,5-6H2,(H2,19,20)
InChIKeyZJNRBXXRNAEESM-UHFFFAOYSA-N
MW290.31 g/mol
LogP4.11
Rot. Bonds2

About 5-(2-bicyclo[2.2.1]heptanyl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine

5-(2-bicyclo[2.2.1]heptanyl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine (PubChem CID 66201888) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is 5-(2-bicyclo[2.2.1]heptanyl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2-bicyclo[2.2.1]heptanyl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine
PubChem CID66201888
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name5-(2-bicyclo[2.2.1]heptanyl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(C2CC3CCC2C3)c1-c1ccc(F)cc1F
InChIInChI=1S/C16H16F2N2O/c17-10-3-4-11(13(18)7-10)14-15(21-20-16(14)19)12-6-8-1-2-9(12)5-8/h3-4,7-9,12H,1-2,5-6H2,(H2,19,20)
InChIKeyZJNRBXXRNAEESM-UHFFFAOYSA-N
XLogP4.11
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bicyclo[2.2.1]heptanyl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(2-bicyclo[2.2.1]heptanyl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine (CID 66201888) is 5-(2-bicyclo[2.2.1]heptanyl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2-bicyclo[2.2.1]heptanyl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2-bicyclo[2.2.1]heptanyl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine is Nc1noc(C2CC3CCC2C3)c1-c1ccc(F)cc1F.
What is the InChIKey of 5-(2-bicyclo[2.2.1]heptanyl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine?
The InChIKey is ZJNRBXXRNAEESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c17-10-3-4-11(13(18)7-10)14-15(21-20-16(14)19)12-6-8-1-2-9(12)5-8/h3-4,7-9,12H,1-2,5-6H2,(H2,19,20).
What are the key properties of 5-(2-bicyclo[2.2.1]heptanyl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine?
5-(2-bicyclo[2.2.1]heptanyl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine has a molecular weight of 290.31 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bicyclo[2.2.1]heptanyl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66201888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).