N-cyclohexa-1,5-dien-1-yl-2-(2,6-difluorophenyl)-1,3-oxazol-4-amine

C15H12F2N2O — CID 67808564

IUPACN-cyclohexa-1,5-dien-1-yl-2-(2,6-difluorophenyl)-1,3-oxazol-4-amine
SMILESFc1cccc(F)c1-c1nc(NC2=CCCC=C2)co1
InChIInChI=1S/C15H12F2N2O/c16-11-7-4-8-12(17)14(11)15-19-13(9-20-15)18-10-5-2-1-3-6-10/h2,4-9,18H,1,3H2
InChIKeyCXLJPLHATCEAJX-UHFFFAOYSA-N
MW274.27 g/mol
LogP4.27
Rot. Bonds3

About N-cyclohexa-1,5-dien-1-yl-2-(2,6-difluorophenyl)-1,3-oxazol-4-amine

N-cyclohexa-1,5-dien-1-yl-2-(2,6-difluorophenyl)-1,3-oxazol-4-amine (PubChem CID 67808564) has the molecular formula C15H12F2N2O and a molecular weight of 274.27 g/mol. Its IUPAC name is N-cyclohexa-1,5-dien-1-yl-2-(2,6-difluorophenyl)-1,3-oxazol-4-amine.

Molecular Properties

Compound NameN-cyclohexa-1,5-dien-1-yl-2-(2,6-difluorophenyl)-1,3-oxazol-4-amine
PubChem CID67808564
Molecular FormulaC15H12F2N2O
Molecular Weight274.27 g/mol
Exact Mass274.09
IUPAC NameN-cyclohexa-1,5-dien-1-yl-2-(2,6-difluorophenyl)-1,3-oxazol-4-amine
SMILESFc1cccc(F)c1-c1nc(NC2=CCCC=C2)co1
InChIInChI=1S/C15H12F2N2O/c16-11-7-4-8-12(17)14(11)15-19-13(9-20-15)18-10-5-2-1-3-6-10/h2,4-9,18H,1,3H2
InChIKeyCXLJPLHATCEAJX-UHFFFAOYSA-N
XLogP4.27
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,5-dien-1-yl-2-(2,6-difluorophenyl)-1,3-oxazol-4-amine?
The IUPAC name of N-cyclohexa-1,5-dien-1-yl-2-(2,6-difluorophenyl)-1,3-oxazol-4-amine (CID 67808564) is N-cyclohexa-1,5-dien-1-yl-2-(2,6-difluorophenyl)-1,3-oxazol-4-amine.
What is the SMILES notation for N-cyclohexa-1,5-dien-1-yl-2-(2,6-difluorophenyl)-1,3-oxazol-4-amine?
The canonical SMILES for N-cyclohexa-1,5-dien-1-yl-2-(2,6-difluorophenyl)-1,3-oxazol-4-amine is Fc1cccc(F)c1-c1nc(NC2=CCCC=C2)co1.
What is the InChIKey of N-cyclohexa-1,5-dien-1-yl-2-(2,6-difluorophenyl)-1,3-oxazol-4-amine?
The InChIKey is CXLJPLHATCEAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O/c16-11-7-4-8-12(17)14(11)15-19-13(9-20-15)18-10-5-2-1-3-6-10/h2,4-9,18H,1,3H2.
What are the key properties of N-cyclohexa-1,5-dien-1-yl-2-(2,6-difluorophenyl)-1,3-oxazol-4-amine?
N-cyclohexa-1,5-dien-1-yl-2-(2,6-difluorophenyl)-1,3-oxazol-4-amine has a molecular weight of 274.27 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,5-dien-1-yl-2-(2,6-difluorophenyl)-1,3-oxazol-4-amine is sourced from PubChem (CID 67808564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).