5-methyl-2-(3-methylcyclohexa-1,3-dien-1-yl)-1,3-oxazole

C11H13NO — CID 89354531

IUPAC5-methyl-2-(3-methylcyclohexa-1,3-dien-1-yl)-1,3-oxazole
SMILESCC1=CCCC(c2ncc(C)o2)=C1
InChIInChI=1S/C11H13NO/c1-8-4-3-5-10(6-8)11-12-7-9(2)13-11/h4,6-7H,3,5H2,1-2H3
InChIKeyITGGVIJLXNKLJH-UHFFFAOYSA-N
MW175.23 g/mol
LogP3.11
Rot. Bonds1

About 5-methyl-2-(3-methylcyclohexa-1,3-dien-1-yl)-1,3-oxazole

5-methyl-2-(3-methylcyclohexa-1,3-dien-1-yl)-1,3-oxazole (PubChem CID 89354531) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 5-methyl-2-(3-methylcyclohexa-1,3-dien-1-yl)-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-(3-methylcyclohexa-1,3-dien-1-yl)-1,3-oxazole
PubChem CID89354531
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name5-methyl-2-(3-methylcyclohexa-1,3-dien-1-yl)-1,3-oxazole
SMILESCC1=CCCC(c2ncc(C)o2)=C1
InChIInChI=1S/C11H13NO/c1-8-4-3-5-10(6-8)11-12-7-9(2)13-11/h4,6-7H,3,5H2,1-2H3
InChIKeyITGGVIJLXNKLJH-UHFFFAOYSA-N
XLogP3.11
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(3-methylcyclohexa-1,3-dien-1-yl)-1,3-oxazole?
The IUPAC name of 5-methyl-2-(3-methylcyclohexa-1,3-dien-1-yl)-1,3-oxazole (CID 89354531) is 5-methyl-2-(3-methylcyclohexa-1,3-dien-1-yl)-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-(3-methylcyclohexa-1,3-dien-1-yl)-1,3-oxazole?
The canonical SMILES for 5-methyl-2-(3-methylcyclohexa-1,3-dien-1-yl)-1,3-oxazole is CC1=CCCC(c2ncc(C)o2)=C1.
What is the InChIKey of 5-methyl-2-(3-methylcyclohexa-1,3-dien-1-yl)-1,3-oxazole?
The InChIKey is ITGGVIJLXNKLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-8-4-3-5-10(6-8)11-12-7-9(2)13-11/h4,6-7H,3,5H2,1-2H3.
What are the key properties of 5-methyl-2-(3-methylcyclohexa-1,3-dien-1-yl)-1,3-oxazole?
5-methyl-2-(3-methylcyclohexa-1,3-dien-1-yl)-1,3-oxazole has a molecular weight of 175.23 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3-methylcyclohexa-1,3-dien-1-yl)-1,3-oxazole is sourced from PubChem (CID 89354531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).