3-cyclohexa-1,3-dien-1-yl-1,2-oxazole

C9H9NO — CID 91472039

IUPAC3-cyclohexa-1,3-dien-1-yl-1,2-oxazole
SMILESC1=CCCC(c2ccon2)=C1
InChIInChI=1S/C9H9NO/c1-2-4-8(5-3-1)9-6-7-11-10-9/h1-2,4,6-7H,3,5H2
InChIKeyCXEAZUQRBPAONK-UHFFFAOYSA-N
MW147.18 g/mol
LogP2.41
Rot. Bonds1

About 3-cyclohexa-1,3-dien-1-yl-1,2-oxazole

3-cyclohexa-1,3-dien-1-yl-1,2-oxazole (PubChem CID 91472039) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 3-cyclohexa-1,3-dien-1-yl-1,2-oxazole.

Molecular Properties

Compound Name3-cyclohexa-1,3-dien-1-yl-1,2-oxazole
PubChem CID91472039
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name3-cyclohexa-1,3-dien-1-yl-1,2-oxazole
SMILESC1=CCCC(c2ccon2)=C1
InChIInChI=1S/C9H9NO/c1-2-4-8(5-3-1)9-6-7-11-10-9/h1-2,4,6-7H,3,5H2
InChIKeyCXEAZUQRBPAONK-UHFFFAOYSA-N
XLogP2.41
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-1,3-dien-1-yl-1,2-oxazole?
The IUPAC name of 3-cyclohexa-1,3-dien-1-yl-1,2-oxazole (CID 91472039) is 3-cyclohexa-1,3-dien-1-yl-1,2-oxazole.
What is the SMILES notation for 3-cyclohexa-1,3-dien-1-yl-1,2-oxazole?
The canonical SMILES for 3-cyclohexa-1,3-dien-1-yl-1,2-oxazole is C1=CCCC(c2ccon2)=C1.
What is the InChIKey of 3-cyclohexa-1,3-dien-1-yl-1,2-oxazole?
The InChIKey is CXEAZUQRBPAONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c1-2-4-8(5-3-1)9-6-7-11-10-9/h1-2,4,6-7H,3,5H2.
What are the key properties of 3-cyclohexa-1,3-dien-1-yl-1,2-oxazole?
3-cyclohexa-1,3-dien-1-yl-1,2-oxazole has a molecular weight of 147.18 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-1,3-dien-1-yl-1,2-oxazole is sourced from PubChem (CID 91472039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).