2-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]acetaldehyde

C10H8N2O3 — CID 137002860

IUPAC2-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]acetaldehyde
SMILESO=CCc1noc(-c2ccc(O)cc2)n1
InChIInChI=1S/C10H8N2O3/c13-6-5-9-11-10(15-12-9)7-1-3-8(14)4-2-7/h1-4,6,14H,5H2
InChIKeyHFONSZFZFLXIBN-UHFFFAOYSA-N
MW204.18 g/mol
LogP1.18
Rot. Bonds3

About 2-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]acetaldehyde

2-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]acetaldehyde (PubChem CID 137002860) has the molecular formula C10H8N2O3 and a molecular weight of 204.18 g/mol. Its IUPAC name is 2-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]acetaldehyde.

Molecular Properties

Compound Name2-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]acetaldehyde
PubChem CID137002860
Molecular FormulaC10H8N2O3
Molecular Weight204.18 g/mol
Exact Mass204.05
IUPAC Name2-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]acetaldehyde
SMILESO=CCc1noc(-c2ccc(O)cc2)n1
InChIInChI=1S/C10H8N2O3/c13-6-5-9-11-10(15-12-9)7-1-3-8(14)4-2-7/h1-4,6,14H,5H2
InChIKeyHFONSZFZFLXIBN-UHFFFAOYSA-N
XLogP1.18
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 3971875
2-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]acetaldehyde
CID 115079231
4-(3-methyl-1,2,4-oxadiazol-5-yl)phenol
CID 3692407
4-[3-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]benzonitrile
CID 104704099
2-[5-[(2-hydroxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]acetaldehyde
CID 115078953
2-(5-phenyl-1,2,4-oxadiazol-3-yl)acetamide
CID 71279247
4-(3-ethyl-1,2,4-oxadiazol-5-yl)benzoic acid
CID 42553350
4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]phenol
CID 136994466
(5-phenyl-1,2,4-oxadiazol-3-yl)methanesulfinic acid
CID 59944372
[5-(4-iodophenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61323759
5-(4-bromophenyl)-3-(chloromethyl)-1,2,4-oxadiazole
CID 43120201
N-[[5-(4-tert-butylphenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 62341778

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]acetaldehyde?
The IUPAC name of 2-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]acetaldehyde (CID 137002860) is 2-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]acetaldehyde.
What is the SMILES notation for 2-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]acetaldehyde?
The canonical SMILES for 2-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]acetaldehyde is O=CCc1noc(-c2ccc(O)cc2)n1.
What is the InChIKey of 2-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]acetaldehyde?
The InChIKey is HFONSZFZFLXIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c13-6-5-9-11-10(15-12-9)7-1-3-8(14)4-2-7/h1-4,6,14H,5H2.
What are the key properties of 2-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]acetaldehyde?
2-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]acetaldehyde has a molecular weight of 204.18 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]acetaldehyde is sourced from PubChem (CID 137002860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).