2-cyclohepta-1,3,6-trien-1-yl-5-ethenyl-4-[(E)-2-methylhex-1-enyl]-1,3-oxazole

C19H23NO — CID 129171323

IUPAC2-cyclohepta-1,3,6-trien-1-yl-5-ethenyl-4-[(E)-2-methylhex-1-enyl]-1,3-oxazole
SMILESC=Cc1oc(C2=CC=CCC=C2)nc1/C=C(\C)CCCC
InChIInChI=1S/C19H23NO/c1-4-6-11-15(3)14-17-18(5-2)21-19(20-17)16-12-9-7-8-10-13-16/h5,7,9-10,12-14H,2,4,6,8,11H2,1,3H3/b15-14+
InChIKeyIFYJLVBCGLZWDA-CCEZHUSRSA-N
MW281.40 g/mol
LogP5.81
Rot. Bonds6

About 2-cyclohepta-1,3,6-trien-1-yl-5-ethenyl-4-[(E)-2-methylhex-1-enyl]-1,3-oxazole

2-cyclohepta-1,3,6-trien-1-yl-5-ethenyl-4-[(E)-2-methylhex-1-enyl]-1,3-oxazole (PubChem CID 129171323) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-cyclohepta-1,3,6-trien-1-yl-5-ethenyl-4-[(E)-2-methylhex-1-enyl]-1,3-oxazole.

Molecular Properties

Compound Name2-cyclohepta-1,3,6-trien-1-yl-5-ethenyl-4-[(E)-2-methylhex-1-enyl]-1,3-oxazole
PubChem CID129171323
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name2-cyclohepta-1,3,6-trien-1-yl-5-ethenyl-4-[(E)-2-methylhex-1-enyl]-1,3-oxazole
SMILESC=Cc1oc(C2=CC=CCC=C2)nc1/C=C(\C)CCCC
InChIInChI=1S/C19H23NO/c1-4-6-11-15(3)14-17-18(5-2)21-19(20-17)16-12-9-7-8-10-13-16/h5,7,9-10,12-14H,2,4,6,8,11H2,1,3H3/b15-14+
InChIKeyIFYJLVBCGLZWDA-CCEZHUSRSA-N
XLogP5.81
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.40
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-cyclohepta-1,3,6-trien-1-yl-5-ethenyl-4-[(E)-2-methylhex-1-enyl]-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclohepta-1,3,6-trien-1-yl-5-ethenyl-4-[(E)-2-methylhex-1-enyl]-1,3-oxazole?
The IUPAC name of 2-cyclohepta-1,3,6-trien-1-yl-5-ethenyl-4-[(E)-2-methylhex-1-enyl]-1,3-oxazole (CID 129171323) is 2-cyclohepta-1,3,6-trien-1-yl-5-ethenyl-4-[(E)-2-methylhex-1-enyl]-1,3-oxazole.
What is the SMILES notation for 2-cyclohepta-1,3,6-trien-1-yl-5-ethenyl-4-[(E)-2-methylhex-1-enyl]-1,3-oxazole?
The canonical SMILES for 2-cyclohepta-1,3,6-trien-1-yl-5-ethenyl-4-[(E)-2-methylhex-1-enyl]-1,3-oxazole is C=Cc1oc(C2=CC=CCC=C2)nc1/C=C(\C)CCCC.
What is the InChIKey of 2-cyclohepta-1,3,6-trien-1-yl-5-ethenyl-4-[(E)-2-methylhex-1-enyl]-1,3-oxazole?
The InChIKey is IFYJLVBCGLZWDA-CCEZHUSRSA-N. The full InChI is InChI=1S/C19H23NO/c1-4-6-11-15(3)14-17-18(5-2)21-19(20-17)16-12-9-7-8-10-13-16/h5,7,9-10,12-14H,2,4,6,8,11H2,1,3H3/b15-14+.
What are the key properties of 2-cyclohepta-1,3,6-trien-1-yl-5-ethenyl-4-[(E)-2-methylhex-1-enyl]-1,3-oxazole?
2-cyclohepta-1,3,6-trien-1-yl-5-ethenyl-4-[(E)-2-methylhex-1-enyl]-1,3-oxazole has a molecular weight of 281.40 g/mol, XLogP of 5.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohepta-1,3,6-trien-1-yl-5-ethenyl-4-[(E)-2-methylhex-1-enyl]-1,3-oxazole is sourced from PubChem (CID 129171323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).