3-(cyclopropanecarbonyl)-1,2-oxazole-5-carbaldehyde

C8H7NO3 — CID 174628616

IUPAC3-(cyclopropanecarbonyl)-1,2-oxazole-5-carbaldehyde
SMILESO=Cc1cc(C(=O)C2CC2)no1
InChIInChI=1S/C8H7NO3/c10-4-6-3-7(9-12-6)8(11)5-1-2-5/h3-5H,1-2H2
InChIKeyBTOPTJLEWSFJPV-UHFFFAOYSA-N
MW165.15 g/mol
LogP1.08
Rot. Bonds3

About 3-(cyclopropanecarbonyl)-1,2-oxazole-5-carbaldehyde

3-(cyclopropanecarbonyl)-1,2-oxazole-5-carbaldehyde (PubChem CID 174628616) has the molecular formula C8H7NO3 and a molecular weight of 165.15 g/mol. Its IUPAC name is 3-(cyclopropanecarbonyl)-1,2-oxazole-5-carbaldehyde.

Molecular Properties

Compound Name3-(cyclopropanecarbonyl)-1,2-oxazole-5-carbaldehyde
PubChem CID174628616
Molecular FormulaC8H7NO3
Molecular Weight165.15 g/mol
Exact Mass165.04
IUPAC Name3-(cyclopropanecarbonyl)-1,2-oxazole-5-carbaldehyde
SMILESO=Cc1cc(C(=O)C2CC2)no1
InChIInChI=1S/C8H7NO3/c10-4-6-3-7(9-12-6)8(11)5-1-2-5/h3-5H,1-2H2
InChIKeyBTOPTJLEWSFJPV-UHFFFAOYSA-N
XLogP1.08
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 51.08
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

cyclopropyl-(5-methyl-1,2-oxazol-3-yl)methanone
CID 83681907
4-(cyclopentanecarbonyl)furan-2-carbaldehyde
CID 84719861
5-(cyclopentanecarbonyl)furan-2-carbaldehyde
CID 84719862
cyclopropyl-(5-methylpyrazin-2-yl)methanone
CID 118508128
[4-[(5-ethenyl-1,2-oxazole-3-carbonyl)amino]cyclohexyl]azanium
CID 163919078
cyclopropyl-(3,5-dibromophenyl)methanone
CID 107976980
4-[4-(cyclopropanecarbonyl)-1,2-oxazol-5-yl]benzonitrile
CID 54205927
3-(5-fluorothiophen-2-yl)-1,2-oxazole-5-carbaldehyde
CID 145111309
cyclopropyl-(6-fluoro-2-pyridinyl)methanone
CID 134465722
cyclobutyl(1,2-thiazol-3-yl)methanone
CID 130693406
[7-[6-(cyclopropanecarbonyl)-2,3-dihydro-1,4-benzodioxin-7-yl]-2,3-dihydro-1,4-benzodioxin-6-yl]-cyclopropylmethanone
CID 45490382
bis(5-cyclopropyl-1,2-oxazol-3-yl)methanone
CID 175316695

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonyl)-1,2-oxazole-5-carbaldehyde?
The IUPAC name of 3-(cyclopropanecarbonyl)-1,2-oxazole-5-carbaldehyde (CID 174628616) is 3-(cyclopropanecarbonyl)-1,2-oxazole-5-carbaldehyde.
What is the SMILES notation for 3-(cyclopropanecarbonyl)-1,2-oxazole-5-carbaldehyde?
The canonical SMILES for 3-(cyclopropanecarbonyl)-1,2-oxazole-5-carbaldehyde is O=Cc1cc(C(=O)C2CC2)no1.
What is the InChIKey of 3-(cyclopropanecarbonyl)-1,2-oxazole-5-carbaldehyde?
The InChIKey is BTOPTJLEWSFJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO3/c10-4-6-3-7(9-12-6)8(11)5-1-2-5/h3-5H,1-2H2.
What are the key properties of 3-(cyclopropanecarbonyl)-1,2-oxazole-5-carbaldehyde?
3-(cyclopropanecarbonyl)-1,2-oxazole-5-carbaldehyde has a molecular weight of 165.15 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonyl)-1,2-oxazole-5-carbaldehyde is sourced from PubChem (CID 174628616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).