5-cyclopenta-1,4-dien-1-yl-2-methyl-1,3-oxazole

C9H9NO — CID 58646236

IUPAC5-cyclopenta-1,4-dien-1-yl-2-methyl-1,3-oxazole
SMILESCc1ncc(C2=CCC=C2)o1
InChIInChI=1S/C9H9NO/c1-7-10-6-9(11-7)8-4-2-3-5-8/h2,4-6H,3H2,1H3
InChIKeyXSZBTVKUVFPWQY-UHFFFAOYSA-N
MW147.18 g/mol
LogP2.33
Rot. Bonds1

About 5-cyclopenta-1,4-dien-1-yl-2-methyl-1,3-oxazole

5-cyclopenta-1,4-dien-1-yl-2-methyl-1,3-oxazole (PubChem CID 58646236) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 5-cyclopenta-1,4-dien-1-yl-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name5-cyclopenta-1,4-dien-1-yl-2-methyl-1,3-oxazole
PubChem CID58646236
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name5-cyclopenta-1,4-dien-1-yl-2-methyl-1,3-oxazole
SMILESCc1ncc(C2=CCC=C2)o1
InChIInChI=1S/C9H9NO/c1-7-10-6-9(11-7)8-4-2-3-5-8/h2,4-6H,3H2,1H3
InChIKeyXSZBTVKUVFPWQY-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopenta-1,4-dien-1-yl-2-methyl-1,3-oxazole?
The IUPAC name of 5-cyclopenta-1,4-dien-1-yl-2-methyl-1,3-oxazole (CID 58646236) is 5-cyclopenta-1,4-dien-1-yl-2-methyl-1,3-oxazole.
What is the SMILES notation for 5-cyclopenta-1,4-dien-1-yl-2-methyl-1,3-oxazole?
The canonical SMILES for 5-cyclopenta-1,4-dien-1-yl-2-methyl-1,3-oxazole is Cc1ncc(C2=CCC=C2)o1.
What is the InChIKey of 5-cyclopenta-1,4-dien-1-yl-2-methyl-1,3-oxazole?
The InChIKey is XSZBTVKUVFPWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c1-7-10-6-9(11-7)8-4-2-3-5-8/h2,4-6H,3H2,1H3.
What are the key properties of 5-cyclopenta-1,4-dien-1-yl-2-methyl-1,3-oxazole?
5-cyclopenta-1,4-dien-1-yl-2-methyl-1,3-oxazole has a molecular weight of 147.18 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopenta-1,4-dien-1-yl-2-methyl-1,3-oxazole is sourced from PubChem (CID 58646236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).