5-(2-bicyclo[2.2.1]heptanylmethyl)-4-(4-chlorophenyl)-1,2-oxazol-3-amine

C17H19ClN2O — CID 66200932

IUPAC5-(2-bicyclo[2.2.1]heptanylmethyl)-4-(4-chlorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(CC2CC3CCC2C3)c1-c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O/c18-14-5-3-11(4-6-14)16-15(21-20-17(16)19)9-13-8-10-1-2-12(13)7-10/h3-6,10,12-13H,1-2,7-9H2,(H2,19,20)
InChIKeyQXZQWGISKIDFES-UHFFFAOYSA-N
MW302.80 g/mol
LogP4.56
Rot. Bonds3

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

5-(2-bicyclo[2.2.1]heptanylmethyl)-4-(4-chlorophenyl)-1,2-oxazol-3-amine (PubChem CID 66200932) has the molecular formula C17H19ClN2O and a molecular weight of 302.80 g/mol. Its IUPAC name is 5-(2-bicyclo[2.2.1]heptanylmethyl)-4-(4-chlorophenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2-bicyclo[2.2.1]heptanylmethyl)-4-(4-chlorophenyl)-1,2-oxazol-3-amine
PubChem CID66200932
Molecular FormulaC17H19ClN2O
Molecular Weight302.80 g/mol
Exact Mass302.12
IUPAC Name5-(2-bicyclo[2.2.1]heptanylmethyl)-4-(4-chlorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(CC2CC3CCC2C3)c1-c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O/c18-14-5-3-11(4-6-14)16-15(21-20-17(16)19)9-13-8-10-1-2-12(13)7-10/h3-6,10,12-13H,1-2,7-9H2,(H2,19,20)
InChIKeyQXZQWGISKIDFES-UHFFFAOYSA-N
XLogP4.56
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 54.56
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]heptanylmethyl)-4-(4-chlorophenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(2-bicyclo[2.2.1]heptanylmethyl)-4-(4-chlorophenyl)-1,2-oxazol-3-amine (CID 66200932) is 5-(2-bicyclo[2.2.1]heptanylmethyl)-4-(4-chlorophenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2-bicyclo[2.2.1]heptanylmethyl)-4-(4-chlorophenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2-bicyclo[2.2.1]heptanylmethyl)-4-(4-chlorophenyl)-1,2-oxazol-3-amine is Nc1noc(CC2CC3CCC2C3)c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(2-bicyclo[2.2.1]heptanylmethyl)-4-(4-chlorophenyl)-1,2-oxazol-3-amine?
The InChIKey is QXZQWGISKIDFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c18-14-5-3-11(4-6-14)16-15(21-20-17(16)19)9-13-8-10-1-2-12(13)7-10/h3-6,10,12-13H,1-2,7-9H2,(H2,19,20).
What are the key properties of 5-(2-bicyclo[2.2.1]heptanylmethyl)-4-(4-chlorophenyl)-1,2-oxazol-3-amine?
5-(2-bicyclo[2.2.1]heptanylmethyl)-4-(4-chlorophenyl)-1,2-oxazol-3-amine has a molecular weight of 302.80 g/mol, XLogP of 4.56, 3 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]heptanylmethyl)-4-(4-chlorophenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66200932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).