5-cyclohexa-1,3-dien-1-yl-4-methyl-1,3-oxazole

C10H11NO — CID 90243606

IUPAC5-cyclohexa-1,3-dien-1-yl-4-methyl-1,3-oxazole
SMILESCc1ncoc1C1=CC=CCC1
InChIInChI=1S/C10H11NO/c1-8-10(12-7-11-8)9-5-3-2-4-6-9/h2-3,5,7H,4,6H2,1H3
InChIKeyDFRSAEDYVWFLEI-UHFFFAOYSA-N
MW161.20 g/mol
LogP2.72
Rot. Bonds1

About 5-cyclohexa-1,3-dien-1-yl-4-methyl-1,3-oxazole

5-cyclohexa-1,3-dien-1-yl-4-methyl-1,3-oxazole (PubChem CID 90243606) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 5-cyclohexa-1,3-dien-1-yl-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name5-cyclohexa-1,3-dien-1-yl-4-methyl-1,3-oxazole
PubChem CID90243606
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name5-cyclohexa-1,3-dien-1-yl-4-methyl-1,3-oxazole
SMILESCc1ncoc1C1=CC=CCC1
InChIInChI=1S/C10H11NO/c1-8-10(12-7-11-8)9-5-3-2-4-6-9/h2-3,5,7H,4,6H2,1H3
InChIKeyDFRSAEDYVWFLEI-UHFFFAOYSA-N
XLogP2.72
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-cyclohexa-1,3-dien-1-yl-4-methyl-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 5-cyclohexa-1,3-dien-1-yl-4-methyl-1,3-oxazole?
The IUPAC name of 5-cyclohexa-1,3-dien-1-yl-4-methyl-1,3-oxazole (CID 90243606) is 5-cyclohexa-1,3-dien-1-yl-4-methyl-1,3-oxazole.
What is the SMILES notation for 5-cyclohexa-1,3-dien-1-yl-4-methyl-1,3-oxazole?
The canonical SMILES for 5-cyclohexa-1,3-dien-1-yl-4-methyl-1,3-oxazole is Cc1ncoc1C1=CC=CCC1.
What is the InChIKey of 5-cyclohexa-1,3-dien-1-yl-4-methyl-1,3-oxazole?
The InChIKey is DFRSAEDYVWFLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-8-10(12-7-11-8)9-5-3-2-4-6-9/h2-3,5,7H,4,6H2,1H3.
What are the key properties of 5-cyclohexa-1,3-dien-1-yl-4-methyl-1,3-oxazole?
5-cyclohexa-1,3-dien-1-yl-4-methyl-1,3-oxazole has a molecular weight of 161.20 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexa-1,3-dien-1-yl-4-methyl-1,3-oxazole is sourced from PubChem (CID 90243606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).