5-(4-chlorophenyl)-2,3-dihydro-1,3,4-oxadiazole-2-carbaldehyde

C9H7ClN2O2 — CID 174487593

IUPAC5-(4-chlorophenyl)-2,3-dihydro-1,3,4-oxadiazole-2-carbaldehyde
SMILESO=CC1NN=C(c2ccc(Cl)cc2)O1
InChIInChI=1S/C9H7ClN2O2/c10-7-3-1-6(2-4-7)9-12-11-8(5-13)14-9/h1-5,8,11H
InChIKeyZGHUDIGNXCTEIJ-UHFFFAOYSA-N
MW210.62 g/mol
LogP1.15
Rot. Bonds2

About 5-(4-chlorophenyl)-2,3-dihydro-1,3,4-oxadiazole-2-carbaldehyde

5-(4-chlorophenyl)-2,3-dihydro-1,3,4-oxadiazole-2-carbaldehyde (PubChem CID 174487593) has the molecular formula C9H7ClN2O2 and a molecular weight of 210.62 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2,3-dihydro-1,3,4-oxadiazole-2-carbaldehyde.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2,3-dihydro-1,3,4-oxadiazole-2-carbaldehyde
PubChem CID174487593
Molecular FormulaC9H7ClN2O2
Molecular Weight210.62 g/mol
Exact Mass210.02
IUPAC Name5-(4-chlorophenyl)-2,3-dihydro-1,3,4-oxadiazole-2-carbaldehyde
SMILESO=CC1NN=C(c2ccc(Cl)cc2)O1
InChIInChI=1S/C9H7ClN2O2/c10-7-3-1-6(2-4-7)9-12-11-8(5-13)14-9/h1-5,8,11H
InChIKeyZGHUDIGNXCTEIJ-UHFFFAOYSA-N
XLogP1.15
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-chlorophenyl)-2,3-dihydro-1,3,4-oxadiazole-2-carbaldehyde?
The IUPAC name of 5-(4-chlorophenyl)-2,3-dihydro-1,3,4-oxadiazole-2-carbaldehyde (CID 174487593) is 5-(4-chlorophenyl)-2,3-dihydro-1,3,4-oxadiazole-2-carbaldehyde.
What is the SMILES notation for 5-(4-chlorophenyl)-2,3-dihydro-1,3,4-oxadiazole-2-carbaldehyde?
The canonical SMILES for 5-(4-chlorophenyl)-2,3-dihydro-1,3,4-oxadiazole-2-carbaldehyde is O=CC1NN=C(c2ccc(Cl)cc2)O1.
What is the InChIKey of 5-(4-chlorophenyl)-2,3-dihydro-1,3,4-oxadiazole-2-carbaldehyde?
The InChIKey is ZGHUDIGNXCTEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2/c10-7-3-1-6(2-4-7)9-12-11-8(5-13)14-9/h1-5,8,11H.
What are the key properties of 5-(4-chlorophenyl)-2,3-dihydro-1,3,4-oxadiazole-2-carbaldehyde?
5-(4-chlorophenyl)-2,3-dihydro-1,3,4-oxadiazole-2-carbaldehyde has a molecular weight of 210.62 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2,3-dihydro-1,3,4-oxadiazole-2-carbaldehyde is sourced from PubChem (CID 174487593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).