2-(1,5-dimethylpyrazol-4-yl)thieno[3,4-d][1,3]oxazole-4-carbaldehyde

C11H9N3O2S — CID 82383993

IUPAC2-(1,5-dimethylpyrazol-4-yl)thieno[3,4-d][1,3]oxazole-4-carbaldehyde
SMILESCc1c(-c2nc3c(C=O)scc3o2)cnn1C
InChIInChI=1S/C11H9N3O2S/c1-6-7(3-12-14(6)2)11-13-10-8(16-11)5-17-9(10)4-15/h3-5H,1-2H3
InChIKeyRCXRFPPSBYXZAX-UHFFFAOYSA-N
MW247.28 g/mol
LogP2.41
Rot. Bonds2

About 2-(1,5-dimethylpyrazol-4-yl)thieno[3,4-d][1,3]oxazole-4-carbaldehyde

2-(1,5-dimethylpyrazol-4-yl)thieno[3,4-d][1,3]oxazole-4-carbaldehyde (PubChem CID 82383993) has the molecular formula C11H9N3O2S and a molecular weight of 247.28 g/mol. Its IUPAC name is 2-(1,5-dimethylpyrazol-4-yl)thieno[3,4-d][1,3]oxazole-4-carbaldehyde.

Molecular Properties

Compound Name2-(1,5-dimethylpyrazol-4-yl)thieno[3,4-d][1,3]oxazole-4-carbaldehyde
PubChem CID82383993
Molecular FormulaC11H9N3O2S
Molecular Weight247.28 g/mol
Exact Mass247.04
IUPAC Name2-(1,5-dimethylpyrazol-4-yl)thieno[3,4-d][1,3]oxazole-4-carbaldehyde
SMILESCc1c(-c2nc3c(C=O)scc3o2)cnn1C
InChIInChI=1S/C11H9N3O2S/c1-6-7(3-12-14(6)2)11-13-10-8(16-11)5-17-9(10)4-15/h3-5H,1-2H3
InChIKeyRCXRFPPSBYXZAX-UHFFFAOYSA-N
XLogP2.41
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methyl-1,3-thiazol-5-yl)thieno[3,4-d][1,3]oxazole-4-carbaldehyde
CID 82382759
5-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrole-2-carbaldehyde
CID 115004650
7-(1,5-dimethylpyrazol-4-yl)thieno[3,2-c]pyridine
CID 168934007
1-[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61352936
ethyl 4-(difluoromethyl)-2-(1,5-dimethylpyrazol-4-yl)-1,3-oxazole-5-carboxylate
CID 103199203
2-(1,5-dimethylpyrazol-4-yl)-4,5-dimethoxybenzaldehyde
CID 66098059
3-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazole
CID 139378787
5-(1,5-dimethylpyrazol-4-yl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916819
1-[4-(1,5-dimethylpyrazol-4-yl)thiophen-2-yl]-N-methylmethanamine
CID 66097001
3-(1-chlorobutyl)-5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazole
CID 103096002
1-[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 103096462
5-(1,5-dimethylpyrazol-4-yl)-2-methoxybenzaldehyde
CID 66097421

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)thieno[3,4-d][1,3]oxazole-4-carbaldehyde?
The IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)thieno[3,4-d][1,3]oxazole-4-carbaldehyde (CID 82383993) is 2-(1,5-dimethylpyrazol-4-yl)thieno[3,4-d][1,3]oxazole-4-carbaldehyde.
What is the SMILES notation for 2-(1,5-dimethylpyrazol-4-yl)thieno[3,4-d][1,3]oxazole-4-carbaldehyde?
The canonical SMILES for 2-(1,5-dimethylpyrazol-4-yl)thieno[3,4-d][1,3]oxazole-4-carbaldehyde is Cc1c(-c2nc3c(C=O)scc3o2)cnn1C.
What is the InChIKey of 2-(1,5-dimethylpyrazol-4-yl)thieno[3,4-d][1,3]oxazole-4-carbaldehyde?
The InChIKey is RCXRFPPSBYXZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2S/c1-6-7(3-12-14(6)2)11-13-10-8(16-11)5-17-9(10)4-15/h3-5H,1-2H3.
What are the key properties of 2-(1,5-dimethylpyrazol-4-yl)thieno[3,4-d][1,3]oxazole-4-carbaldehyde?
2-(1,5-dimethylpyrazol-4-yl)thieno[3,4-d][1,3]oxazole-4-carbaldehyde has a molecular weight of 247.28 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylpyrazol-4-yl)thieno[3,4-d][1,3]oxazole-4-carbaldehyde is sourced from PubChem (CID 82383993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).