2-(1,3-oxazol-2-ylsulfanyl)benzaldehyde

C10H7NO2S — CID 106926336

IUPAC2-(1,3-oxazol-2-ylsulfanyl)benzaldehyde
SMILESO=Cc1ccccc1Sc1ncco1
InChIInChI=1S/C10H7NO2S/c12-7-8-3-1-2-4-9(8)14-10-11-5-6-13-10/h1-7H
InChIKeyUSWFFYHSSBXEIN-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.64
Rot. Bonds3

About 2-(1,3-oxazol-2-ylsulfanyl)benzaldehyde

2-(1,3-oxazol-2-ylsulfanyl)benzaldehyde (PubChem CID 106926336) has the molecular formula C10H7NO2S and a molecular weight of 205.24 g/mol. Its IUPAC name is 2-(1,3-oxazol-2-ylsulfanyl)benzaldehyde.

Molecular Properties

Compound Name2-(1,3-oxazol-2-ylsulfanyl)benzaldehyde
PubChem CID106926336
Molecular FormulaC10H7NO2S
Molecular Weight205.24 g/mol
Exact Mass205.02
IUPAC Name2-(1,3-oxazol-2-ylsulfanyl)benzaldehyde
SMILESO=Cc1ccccc1Sc1ncco1
InChIInChI=1S/C10H7NO2S/c12-7-8-3-1-2-4-9(8)14-10-11-5-6-13-10/h1-7H
InChIKeyUSWFFYHSSBXEIN-UHFFFAOYSA-N
XLogP2.64
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-nitro-2-(1,3-oxazol-2-ylsulfanyl)benzaldehyde
CID 106926348
2-methyl-4-(1,3-oxazol-2-ylsulfanyl)benzaldehyde
CID 106926334
2-pyrazin-2-ylsulfanylbenzaldehyde
CID 63802069
4-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzaldehyde
CID 106926357
2-[(3-bromo-4-pyridinyl)sulfanyl]-1,3-oxazole
CID 106924193
2-(1,3,4-thiadiazol-2-ylsulfanyl)benzaldehyde
CID 63802023
2-[4-(1,3-oxazol-2-yl)phenyl]benzaldehyde
CID 54315674
3-methyl-4-(1,3-oxazol-2-ylsulfanyl)benzoic acid
CID 106921121
2-(furan-2-ylmethylsulfanyl)benzaldehyde
CID 63803722
2-(2-methoxyphenyl)sulfanylbenzaldehyde
CID 12946428
5-fluoro-2-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921307
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]benzaldehyde
CID 102926074

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-oxazol-2-ylsulfanyl)benzaldehyde?
The IUPAC name of 2-(1,3-oxazol-2-ylsulfanyl)benzaldehyde (CID 106926336) is 2-(1,3-oxazol-2-ylsulfanyl)benzaldehyde.
What is the SMILES notation for 2-(1,3-oxazol-2-ylsulfanyl)benzaldehyde?
The canonical SMILES for 2-(1,3-oxazol-2-ylsulfanyl)benzaldehyde is O=Cc1ccccc1Sc1ncco1.
What is the InChIKey of 2-(1,3-oxazol-2-ylsulfanyl)benzaldehyde?
The InChIKey is USWFFYHSSBXEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2S/c12-7-8-3-1-2-4-9(8)14-10-11-5-6-13-10/h1-7H.
What are the key properties of 2-(1,3-oxazol-2-ylsulfanyl)benzaldehyde?
2-(1,3-oxazol-2-ylsulfanyl)benzaldehyde has a molecular weight of 205.24 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-oxazol-2-ylsulfanyl)benzaldehyde is sourced from PubChem (CID 106926336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).