3-cyclohexa-1,5-dien-1-yl-1,2-oxazole-5-carboxylic acid

C10H9NO3 — CID 121448158

IUPAC3-cyclohexa-1,5-dien-1-yl-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(C2=CCCC=C2)no1
InChIInChI=1S/C10H9NO3/c12-10(13)9-6-8(11-14-9)7-4-2-1-3-5-7/h2,4-6H,1,3H2,(H,12,13)
InChIKeyZSKDQFDFWBFMJC-UHFFFAOYSA-N
MW191.19 g/mol
LogP2.11
Rot. Bonds2

About 3-cyclohexa-1,5-dien-1-yl-1,2-oxazole-5-carboxylic acid

3-cyclohexa-1,5-dien-1-yl-1,2-oxazole-5-carboxylic acid (PubChem CID 121448158) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 3-cyclohexa-1,5-dien-1-yl-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-cyclohexa-1,5-dien-1-yl-1,2-oxazole-5-carboxylic acid
PubChem CID121448158
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name3-cyclohexa-1,5-dien-1-yl-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(C2=CCCC=C2)no1
InChIInChI=1S/C10H9NO3/c12-10(13)9-6-8(11-14-9)7-4-2-1-3-5-7/h2,4-6H,1,3H2,(H,12,13)
InChIKeyZSKDQFDFWBFMJC-UHFFFAOYSA-N
XLogP2.11
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-1,5-dien-1-yl-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-cyclohexa-1,5-dien-1-yl-1,2-oxazole-5-carboxylic acid (CID 121448158) is 3-cyclohexa-1,5-dien-1-yl-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-cyclohexa-1,5-dien-1-yl-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-cyclohexa-1,5-dien-1-yl-1,2-oxazole-5-carboxylic acid is O=C(O)c1cc(C2=CCCC=C2)no1.
What is the InChIKey of 3-cyclohexa-1,5-dien-1-yl-1,2-oxazole-5-carboxylic acid?
The InChIKey is ZSKDQFDFWBFMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c12-10(13)9-6-8(11-14-9)7-4-2-1-3-5-7/h2,4-6H,1,3H2,(H,12,13).
What are the key properties of 3-cyclohexa-1,5-dien-1-yl-1,2-oxazole-5-carboxylic acid?
3-cyclohexa-1,5-dien-1-yl-1,2-oxazole-5-carboxylic acid has a molecular weight of 191.19 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-1,5-dien-1-yl-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 121448158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).