2-[4-[(E)-2-cyclopenta-1,3-dien-1-ylethenyl]phenyl]-4-ethyl-4,5-dihydro-1,3-oxazole

C18H19NO — CID 101339849

IUPAC2-[4-[(E)-2-cyclopenta-1,3-dien-1-ylethenyl]phenyl]-4-ethyl-4,5-dihydro-1,3-oxazole
SMILESCCC1COC(c2ccc(/C=C/C3=CC=CC3)cc2)=N1
InChIInChI=1S/C18H19NO/c1-2-17-13-20-18(19-17)16-11-9-15(10-12-16)8-7-14-5-3-4-6-14/h3-5,7-12,17H,2,6,13H2,1H3/b8-7+
InChIKeyYSIREAGNRLMQFQ-BQYQJAHWSA-N
MW265.36 g/mol
LogP4.14
Rot. Bonds4

About 2-[4-[(E)-2-cyclopenta-1,3-dien-1-ylethenyl]phenyl]-4-ethyl-4,5-dihydro-1,3-oxazole

2-[4-[(E)-2-cyclopenta-1,3-dien-1-ylethenyl]phenyl]-4-ethyl-4,5-dihydro-1,3-oxazole (PubChem CID 101339849) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[4-[(E)-2-cyclopenta-1,3-dien-1-ylethenyl]phenyl]-4-ethyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[4-[(E)-2-cyclopenta-1,3-dien-1-ylethenyl]phenyl]-4-ethyl-4,5-dihydro-1,3-oxazole
PubChem CID101339849
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name2-[4-[(E)-2-cyclopenta-1,3-dien-1-ylethenyl]phenyl]-4-ethyl-4,5-dihydro-1,3-oxazole
SMILESCCC1COC(c2ccc(/C=C/C3=CC=CC3)cc2)=N1
InChIInChI=1S/C18H19NO/c1-2-17-13-20-18(19-17)16-11-9-15(10-12-16)8-7-14-5-3-4-6-14/h3-5,7-12,17H,2,6,13H2,1H3/b8-7+
InChIKeyYSIREAGNRLMQFQ-BQYQJAHWSA-N
XLogP4.14
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[4-[(E)-2-cyclopenta-1,3-dien-1-ylethenyl]phenyl]-4-ethyl-4,5-dihydro-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-[4-[(E)-2-cyclopenta-1,3-dien-1-ylethenyl]phenyl]-4-ethyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[4-[(E)-2-cyclopenta-1,3-dien-1-ylethenyl]phenyl]-4-ethyl-4,5-dihydro-1,3-oxazole (CID 101339849) is 2-[4-[(E)-2-cyclopenta-1,3-dien-1-ylethenyl]phenyl]-4-ethyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[4-[(E)-2-cyclopenta-1,3-dien-1-ylethenyl]phenyl]-4-ethyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[4-[(E)-2-cyclopenta-1,3-dien-1-ylethenyl]phenyl]-4-ethyl-4,5-dihydro-1,3-oxazole is CCC1COC(c2ccc(/C=C/C3=CC=CC3)cc2)=N1.
What is the InChIKey of 2-[4-[(E)-2-cyclopenta-1,3-dien-1-ylethenyl]phenyl]-4-ethyl-4,5-dihydro-1,3-oxazole?
The InChIKey is YSIREAGNRLMQFQ-BQYQJAHWSA-N. The full InChI is InChI=1S/C18H19NO/c1-2-17-13-20-18(19-17)16-11-9-15(10-12-16)8-7-14-5-3-4-6-14/h3-5,7-12,17H,2,6,13H2,1H3/b8-7+.
What are the key properties of 2-[4-[(E)-2-cyclopenta-1,3-dien-1-ylethenyl]phenyl]-4-ethyl-4,5-dihydro-1,3-oxazole?
2-[4-[(E)-2-cyclopenta-1,3-dien-1-ylethenyl]phenyl]-4-ethyl-4,5-dihydro-1,3-oxazole has a molecular weight of 265.36 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-2-cyclopenta-1,3-dien-1-ylethenyl]phenyl]-4-ethyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 101339849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).