5-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]furan-2-carbaldehyde

C10H9NO3S — CID 106924061

IUPAC5-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]furan-2-carbaldehyde
SMILESCc1coc(SCc2ccc(C=O)o2)n1
InChIInChI=1S/C10H9NO3S/c1-7-5-13-10(11-7)15-6-9-3-2-8(4-12)14-9/h2-5H,6H2,1H3
InChIKeyMKRHAPWZEWIVFY-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.68
Rot. Bonds4

About 5-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]furan-2-carbaldehyde

5-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]furan-2-carbaldehyde (PubChem CID 106924061) has the molecular formula C10H9NO3S and a molecular weight of 223.25 g/mol. Its IUPAC name is 5-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]furan-2-carbaldehyde
PubChem CID106924061
Molecular FormulaC10H9NO3S
Molecular Weight223.25 g/mol
Exact Mass223.03
IUPAC Name5-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]furan-2-carbaldehyde
SMILESCc1coc(SCc2ccc(C=O)o2)n1
InChIInChI=1S/C10H9NO3S/c1-7-5-13-10(11-7)15-6-9-3-2-8(4-12)14-9/h2-5H,6H2,1H3
InChIKeyMKRHAPWZEWIVFY-UHFFFAOYSA-N
XLogP2.68
TPSA56.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]furan-2-carboxylate
CID 75442354
1-(4-Ethoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone
CID 103520180
5-[(4-Methyl-1,3-thiazol-2-yl)sulfanylmethyl]furan-2-carbaldehyde
CID 104072257
Ethyl 2-(furan-2-ylmethylsulfanyl)-1,3-oxazole-4-carboxylate
CID 104114715
2-(Furan-2-ylmethylsulfanyl)-1,3-oxazole-4-carboxylic acid
CID 104114716
3-Methyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]furan-2-carboxylic acid
CID 106920790
5-Methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]furan-2-carboxylic acid
CID 106920827
5-[1-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]ethyl]furan-2-carboxylic acid
CID 106920831
5-[(4-Methyl-1,3-oxazol-2-yl)sulfanylmethyl]furan-2-carboxylic acid
CID 106920857
3-[(4-Methyl-1,3-oxazol-2-yl)sulfanylmethyl]furan-2-carboxylic acid
CID 106920858
5-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]furan-2-carboxylic acid
CID 106921158
1-(Furan-2-yl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-amine
CID 106921969

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]furan-2-carbaldehyde?
The IUPAC name of 5-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]furan-2-carbaldehyde (CID 106924061) is 5-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]furan-2-carbaldehyde is Cc1coc(SCc2ccc(C=O)o2)n1.
What is the InChIKey of 5-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]furan-2-carbaldehyde?
The InChIKey is MKRHAPWZEWIVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3S/c1-7-5-13-10(11-7)15-6-9-3-2-8(4-12)14-9/h2-5H,6H2,1H3.
What are the key properties of 5-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]furan-2-carbaldehyde?
5-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]furan-2-carbaldehyde has a molecular weight of 223.25 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]furan-2-carbaldehyde is sourced from PubChem (CID 106924061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).