3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenyl-1,2-oxazol-5-amine

C17H14N2O — CID 66395933

IUPAC3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenyl-1,2-oxazol-5-amine
SMILESNc1onc(C2Cc3ccccc32)c1-c1ccccc1
InChIInChI=1S/C17H14N2O/c18-17-15(11-6-2-1-3-7-11)16(19-20-17)14-10-12-8-4-5-9-13(12)14/h1-9,14H,10,18H2
InChIKeyKLMGZQBZWZMFHM-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.61
Rot. Bonds2

About 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenyl-1,2-oxazol-5-amine

3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenyl-1,2-oxazol-5-amine (PubChem CID 66395933) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenyl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenyl-1,2-oxazol-5-amine
PubChem CID66395933
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenyl-1,2-oxazol-5-amine
SMILESNc1onc(C2Cc3ccccc32)c1-c1ccccc1
InChIInChI=1S/C17H14N2O/c18-17-15(11-6-2-1-3-7-11)16(19-20-17)14-10-12-8-4-5-9-13(12)14/h1-9,14H,10,18H2
InChIKeyKLMGZQBZWZMFHM-UHFFFAOYSA-N
XLogP3.61
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenyl-1,2-oxazol-5-amine with MolForge

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Related Compounds

3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine
CID 66396128
3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-pyridin-2-yl-1,2-oxazol-5-amine
CID 80521059
3-(2,2-dimethylcyclopropyl)-4-phenyl-1,2-oxazol-5-amine
CID 107001934
3-cyclohexyl-4-phenyl-1,2-oxazol-5-amine
CID 43158023
3-(oxan-3-yl)-4-phenyl-1,2-oxazol-5-amine
CID 63015258
5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methyl-1,2-oxazol-3-amine
CID 66394653
5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2,4-dimethylpyrazol-3-amine
CID 66396321
5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(4-chlorophenyl)-1H-pyrazol-3-amine
CID 66396124
5-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]-2-bromoaniline
CID 107813750
4-phenyl-3-pyridazin-4-yl-1,2-oxazol-5-amine
CID 113439303
5-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 64982491
3-(5-methylfuran-2-yl)-4-phenyl-1,2-oxazol-5-amine
CID 43158036

Frequently Asked Questions

What is the IUPAC name of 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenyl-1,2-oxazol-5-amine?
The IUPAC name of 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenyl-1,2-oxazol-5-amine (CID 66395933) is 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenyl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenyl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenyl-1,2-oxazol-5-amine is Nc1onc(C2Cc3ccccc32)c1-c1ccccc1.
What is the InChIKey of 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenyl-1,2-oxazol-5-amine?
The InChIKey is KLMGZQBZWZMFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c18-17-15(11-6-2-1-3-7-11)16(19-20-17)14-10-12-8-4-5-9-13(12)14/h1-9,14H,10,18H2.
What are the key properties of 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenyl-1,2-oxazol-5-amine?
3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenyl-1,2-oxazol-5-amine has a molecular weight of 262.31 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenyl-1,2-oxazol-5-amine is sourced from PubChem (CID 66395933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).