1-ethenyl-4-methoxybenzene;3-methyl-5,6-dihydro-4H-cyclopenta[c][1,2]oxazole

C16H19NO2 — CID 142903013

IUPAC1-ethenyl-4-methoxybenzene;3-methyl-5,6-dihydro-4H-cyclopenta[c][1,2]oxazole
SMILESC=Cc1ccc(OC)cc1.Cc1onc2c1CCC2
InChIInChI=1S/C9H10O.C7H9NO/c1-3-8-4-6-9(10-2)7-5-8;1-5-6-3-2-4-7(6)8-9-5/h3-7H,1H2,2H3;2-4H2,1H3
InChIKeyAQAGSCYKDHXKIZ-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.81
Rot. Bonds2

About 1-ethenyl-4-methoxybenzene;3-methyl-5,6-dihydro-4H-cyclopenta[c][1,2]oxazole

1-ethenyl-4-methoxybenzene;3-methyl-5,6-dihydro-4H-cyclopenta[c][1,2]oxazole (PubChem CID 142903013) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-ethenyl-4-methoxybenzene;3-methyl-5,6-dihydro-4H-cyclopenta[c][1,2]oxazole.

Molecular Properties

Compound Name1-ethenyl-4-methoxybenzene;3-methyl-5,6-dihydro-4H-cyclopenta[c][1,2]oxazole
PubChem CID142903013
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name1-ethenyl-4-methoxybenzene;3-methyl-5,6-dihydro-4H-cyclopenta[c][1,2]oxazole
SMILESC=Cc1ccc(OC)cc1.Cc1onc2c1CCC2
InChIInChI=1S/C9H10O.C7H9NO/c1-3-8-4-6-9(10-2)7-5-8;1-5-6-3-2-4-7(6)8-9-5/h3-7H,1H2,2H3;2-4H2,1H3
InChIKeyAQAGSCYKDHXKIZ-UHFFFAOYSA-N
XLogP3.81
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-ethenyl-4-methoxybenzene;3-methyl-5,6-dihydro-4H-cyclopenta[c][1,2]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 1-ethenyl-4-methoxybenzene;3-methyl-5,6-dihydro-4H-cyclopenta[c][1,2]oxazole?
The IUPAC name of 1-ethenyl-4-methoxybenzene;3-methyl-5,6-dihydro-4H-cyclopenta[c][1,2]oxazole (CID 142903013) is 1-ethenyl-4-methoxybenzene;3-methyl-5,6-dihydro-4H-cyclopenta[c][1,2]oxazole.
What is the SMILES notation for 1-ethenyl-4-methoxybenzene;3-methyl-5,6-dihydro-4H-cyclopenta[c][1,2]oxazole?
The canonical SMILES for 1-ethenyl-4-methoxybenzene;3-methyl-5,6-dihydro-4H-cyclopenta[c][1,2]oxazole is C=Cc1ccc(OC)cc1.Cc1onc2c1CCC2.
What is the InChIKey of 1-ethenyl-4-methoxybenzene;3-methyl-5,6-dihydro-4H-cyclopenta[c][1,2]oxazole?
The InChIKey is AQAGSCYKDHXKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O.C7H9NO/c1-3-8-4-6-9(10-2)7-5-8;1-5-6-3-2-4-7(6)8-9-5/h3-7H,1H2,2H3;2-4H2,1H3.
What are the key properties of 1-ethenyl-4-methoxybenzene;3-methyl-5,6-dihydro-4H-cyclopenta[c][1,2]oxazole?
1-ethenyl-4-methoxybenzene;3-methyl-5,6-dihydro-4H-cyclopenta[c][1,2]oxazole has a molecular weight of 257.33 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-methoxybenzene;3-methyl-5,6-dihydro-4H-cyclopenta[c][1,2]oxazole is sourced from PubChem (CID 142903013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).