1-(1,2-oxazol-3-yl)cyclohexa-2,4-diene-1-carbaldehyde

C10H9NO2 — CID 173249209

IUPAC1-(1,2-oxazol-3-yl)cyclohexa-2,4-diene-1-carbaldehyde
SMILESO=CC1(c2ccon2)C=CC=CC1
InChIInChI=1S/C10H9NO2/c12-8-10(5-2-1-3-6-10)9-4-7-13-11-9/h1-5,7-8H,6H2
InChIKeyDLKGEYQOJFDJDT-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.63
Rot. Bonds2

About 1-(1,2-oxazol-3-yl)cyclohexa-2,4-diene-1-carbaldehyde

1-(1,2-oxazol-3-yl)cyclohexa-2,4-diene-1-carbaldehyde (PubChem CID 173249209) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 1-(1,2-oxazol-3-yl)cyclohexa-2,4-diene-1-carbaldehyde.

Molecular Properties

Compound Name1-(1,2-oxazol-3-yl)cyclohexa-2,4-diene-1-carbaldehyde
PubChem CID173249209
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name1-(1,2-oxazol-3-yl)cyclohexa-2,4-diene-1-carbaldehyde
SMILESO=CC1(c2ccon2)C=CC=CC1
InChIInChI=1S/C10H9NO2/c12-8-10(5-2-1-3-6-10)9-4-7-13-11-9/h1-5,7-8H,6H2
InChIKeyDLKGEYQOJFDJDT-UHFFFAOYSA-N
XLogP1.63
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(cyclopenten-1-yl)cyclohexa-2,4-diene-1-carbaldehyde
CID 71358238
4-(1,2-oxazol-3-yl)oxane-4-carboxylic acid
CID 96758455
2-methyl-3-(1,2-oxazol-3-yl)propanal
CID 126844127
(E)-3-(1-methylcyclohexa-2,4-dien-1-yl)prop-2-enal
CID 87989743
3-(8-azabicyclo[3.2.1]oct-2-en-1-yl)-1,2-oxazole
CID 70094793
2-(1,2-oxazol-3-yloxy)acetaldehyde
CID 135376200
bis[2-(1-hydroxycyclohexa-2,4-dien-1-yl)phenyl]methanone
CID 67426947
(1S)-1-[(2R)-2-hydroxy-3-oxobutan-2-yl]cyclohexa-2,4-diene-1-carbaldehyde
CID 97049623
4-[(1-aminocyclohexa-2,4-dien-1-yl)methylidene]-3-phenyl-1,2-oxazol-5-one
CID 70461735
1-(1,2-oxazole-3-carbonylamino)cyclobutane-1-carboxylic acid
CID 81158788
2-methyl-1-(1,2-oxazol-3-yl)propan-1-one
CID 134296437
CID 59694793
CID 59694793

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-oxazol-3-yl)cyclohexa-2,4-diene-1-carbaldehyde?
The IUPAC name of 1-(1,2-oxazol-3-yl)cyclohexa-2,4-diene-1-carbaldehyde (CID 173249209) is 1-(1,2-oxazol-3-yl)cyclohexa-2,4-diene-1-carbaldehyde.
What is the SMILES notation for 1-(1,2-oxazol-3-yl)cyclohexa-2,4-diene-1-carbaldehyde?
The canonical SMILES for 1-(1,2-oxazol-3-yl)cyclohexa-2,4-diene-1-carbaldehyde is O=CC1(c2ccon2)C=CC=CC1.
What is the InChIKey of 1-(1,2-oxazol-3-yl)cyclohexa-2,4-diene-1-carbaldehyde?
The InChIKey is DLKGEYQOJFDJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c12-8-10(5-2-1-3-6-10)9-4-7-13-11-9/h1-5,7-8H,6H2.
What are the key properties of 1-(1,2-oxazol-3-yl)cyclohexa-2,4-diene-1-carbaldehyde?
1-(1,2-oxazol-3-yl)cyclohexa-2,4-diene-1-carbaldehyde has a molecular weight of 175.19 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-oxazol-3-yl)cyclohexa-2,4-diene-1-carbaldehyde is sourced from PubChem (CID 173249209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).