5-methyl-4-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carbaldehyde

C10H9NO2S — CID 96616781

IUPAC5-methyl-4-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carbaldehyde
SMILESCc1cc(-c2cc(C=O)sc2C)no1
InChIInChI=1S/C10H9NO2S/c1-6-3-10(11-13-6)9-4-8(5-12)14-7(9)2/h3-5H,1-2H3
InChIKeyJVRCLFZHKWZZDU-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.83
Rot. Bonds2

About 5-methyl-4-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carbaldehyde

5-methyl-4-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carbaldehyde (PubChem CID 96616781) has the molecular formula C10H9NO2S and a molecular weight of 207.25 g/mol. Its IUPAC name is 5-methyl-4-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-methyl-4-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carbaldehyde
PubChem CID96616781
Molecular FormulaC10H9NO2S
Molecular Weight207.25 g/mol
Exact Mass207.04
IUPAC Name5-methyl-4-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carbaldehyde
SMILESCc1cc(-c2cc(C=O)sc2C)no1
InChIInChI=1S/C10H9NO2S/c1-6-3-10(11-13-6)9-4-8(5-12)14-7(9)2/h3-5H,1-2H3
InChIKeyJVRCLFZHKWZZDU-UHFFFAOYSA-N
XLogP2.83
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.83
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

3-(Thiophen-2-yl)-5-(trifluoromethyl)isoxazole
CID 736194
5-Thiophen-2-yl-isoxazole-3-carbaldehyde
CID 2776546
5-(3-Thienyl)isoxazole-3-carbaldehyde
CID 57815525
Isoxazole, 3-phenyl-5-(2-thienyl)-
CID 12307707
[3-(4-Fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-thiophen-2-ylmethanone
CID 178324306
5-(1,2-Oxazol-3-yl)thiophene-2-carbothioamide
CID 2739873
5-(3,5-Dimethyl-isoxazol-4-ylmethyl)-thiophene-2-carboxylic acid
CID 6492054
[5-Butyl-3-(4-methylphenyl)-1,2-oxazol-4-yl]-thiophen-2-ylmethanone
CID 101844249
5-Phenyl-3-(2-thienyl)isoxazole
CID 12681082
(5-Phenylisoxazol-3-yl)(thiophen-2-yl)methanone
CID 134861603
5-(2,3-Difluoro-4-nonylphenyl)-3-(5-pentylthiophen-2-yl)-1,2-oxazole
CID 22995197
3-(5-Heptylthiophen-2-yl)-5-(3,4,5-trifluorophenyl)-1,2-oxazole
CID 22995221

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carbaldehyde?
The IUPAC name of 5-methyl-4-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carbaldehyde (CID 96616781) is 5-methyl-4-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carbaldehyde.
What is the SMILES notation for 5-methyl-4-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carbaldehyde?
The canonical SMILES for 5-methyl-4-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carbaldehyde is Cc1cc(-c2cc(C=O)sc2C)no1.
What is the InChIKey of 5-methyl-4-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carbaldehyde?
The InChIKey is JVRCLFZHKWZZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S/c1-6-3-10(11-13-6)9-4-8(5-12)14-7(9)2/h3-5H,1-2H3.
What are the key properties of 5-methyl-4-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carbaldehyde?
5-methyl-4-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carbaldehyde has a molecular weight of 207.25 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carbaldehyde is sourced from PubChem (CID 96616781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).