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

C17H20N2O — CID 43335705

IUPAC3-(2-bicyclo[2.2.1]heptanylmethyl)-4-phenyl-1,2-oxazol-5-amine
SMILESNc1onc(CC2CC3CCC2C3)c1-c1ccccc1
InChIInChI=1S/C17H20N2O/c18-17-16(12-4-2-1-3-5-12)15(19-20-17)10-14-9-11-6-7-13(14)8-11/h1-5,11,13-14H,6-10,18H2
InChIKeyJVJCSMBKWXNQRU-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.90
Rot. Bonds3

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

3-(2-bicyclo[2.2.1]heptanylmethyl)-4-phenyl-1,2-oxazol-5-amine (PubChem CID 43335705) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]heptanylmethyl)-4-phenyl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]heptanylmethyl)-4-phenyl-1,2-oxazol-5-amine
PubChem CID43335705
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name3-(2-bicyclo[2.2.1]heptanylmethyl)-4-phenyl-1,2-oxazol-5-amine
SMILESNc1onc(CC2CC3CCC2C3)c1-c1ccccc1
InChIInChI=1S/C17H20N2O/c18-17-16(12-4-2-1-3-5-12)15(19-20-17)10-14-9-11-6-7-13(14)8-11/h1-5,11,13-14H,6-10,18H2
InChIKeyJVJCSMBKWXNQRU-UHFFFAOYSA-N
XLogP3.90
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]heptanylmethyl)-4-phenyl-1,2-oxazol-5-amine?
The IUPAC name of 3-(2-bicyclo[2.2.1]heptanylmethyl)-4-phenyl-1,2-oxazol-5-amine (CID 43335705) is 3-(2-bicyclo[2.2.1]heptanylmethyl)-4-phenyl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]heptanylmethyl)-4-phenyl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2-bicyclo[2.2.1]heptanylmethyl)-4-phenyl-1,2-oxazol-5-amine is Nc1onc(CC2CC3CCC2C3)c1-c1ccccc1.
What is the InChIKey of 3-(2-bicyclo[2.2.1]heptanylmethyl)-4-phenyl-1,2-oxazol-5-amine?
The InChIKey is JVJCSMBKWXNQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c18-17-16(12-4-2-1-3-5-12)15(19-20-17)10-14-9-11-6-7-13(14)8-11/h1-5,11,13-14H,6-10,18H2.
What are the key properties of 3-(2-bicyclo[2.2.1]heptanylmethyl)-4-phenyl-1,2-oxazol-5-amine?
3-(2-bicyclo[2.2.1]heptanylmethyl)-4-phenyl-1,2-oxazol-5-amine has a molecular weight of 268.36 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]heptanylmethyl)-4-phenyl-1,2-oxazol-5-amine is sourced from PubChem (CID 43335705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).