5-cyclopropyl-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazole-4-carbaldehyde

C13H11Cl2NO2 — CID 139461480

IUPAC5-cyclopropyl-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazole-4-carbaldehyde
SMILESO=CC1C(c2c(Cl)cccc2Cl)=NOC1C1CC1
InChIInChI=1S/C13H11Cl2NO2/c14-9-2-1-3-10(15)11(9)12-8(6-17)13(18-16-12)7-4-5-7/h1-3,6-8,13H,4-5H2
InChIKeyKWGARIGHPISOAR-UHFFFAOYSA-N
MW284.14 g/mol
LogP3.32
Rot. Bonds3

About 5-cyclopropyl-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazole-4-carbaldehyde

5-cyclopropyl-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazole-4-carbaldehyde (PubChem CID 139461480) has the molecular formula C13H11Cl2NO2 and a molecular weight of 284.14 g/mol. Its IUPAC name is 5-cyclopropyl-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazole-4-carbaldehyde.

Molecular Properties

Compound Name5-cyclopropyl-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazole-4-carbaldehyde
PubChem CID139461480
Molecular FormulaC13H11Cl2NO2
Molecular Weight284.14 g/mol
Exact Mass283.02
IUPAC Name5-cyclopropyl-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazole-4-carbaldehyde
SMILESO=CC1C(c2c(Cl)cccc2Cl)=NOC1C1CC1
InChIInChI=1S/C13H11Cl2NO2/c14-9-2-1-3-10(15)11(9)12-8(6-17)13(18-16-12)7-4-5-7/h1-3,6-8,13H,4-5H2
InChIKeyKWGARIGHPISOAR-UHFFFAOYSA-N
XLogP3.32
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.14
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazole-4-carbaldehyde?
The IUPAC name of 5-cyclopropyl-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazole-4-carbaldehyde (CID 139461480) is 5-cyclopropyl-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazole-4-carbaldehyde.
What is the SMILES notation for 5-cyclopropyl-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazole-4-carbaldehyde?
The canonical SMILES for 5-cyclopropyl-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazole-4-carbaldehyde is O=CC1C(c2c(Cl)cccc2Cl)=NOC1C1CC1.
What is the InChIKey of 5-cyclopropyl-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazole-4-carbaldehyde?
The InChIKey is KWGARIGHPISOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO2/c14-9-2-1-3-10(15)11(9)12-8(6-17)13(18-16-12)7-4-5-7/h1-3,6-8,13H,4-5H2.
What are the key properties of 5-cyclopropyl-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazole-4-carbaldehyde?
5-cyclopropyl-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazole-4-carbaldehyde has a molecular weight of 284.14 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazole-4-carbaldehyde is sourced from PubChem (CID 139461480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).