4-(3-methoxyphenyl)-1,2-oxazole-3-carbaldehyde

C11H9NO3 — CID 105423012

IUPAC4-(3-methoxyphenyl)-1,2-oxazole-3-carbaldehyde
SMILESCOc1cccc(-c2conc2C=O)c1
InChIInChI=1S/C11H9NO3/c1-14-9-4-2-3-8(5-9)10-7-15-12-11(10)6-13/h2-7H,1H3
InChIKeyOIYIEIMBSKKEJP-UHFFFAOYSA-N
MW203.20 g/mol
LogP2.16
Rot. Bonds3

About 4-(3-methoxyphenyl)-1,2-oxazole-3-carbaldehyde

4-(3-methoxyphenyl)-1,2-oxazole-3-carbaldehyde (PubChem CID 105423012) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-1,2-oxazole-3-carbaldehyde.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-1,2-oxazole-3-carbaldehyde
PubChem CID105423012
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name4-(3-methoxyphenyl)-1,2-oxazole-3-carbaldehyde
SMILESCOc1cccc(-c2conc2C=O)c1
InChIInChI=1S/C11H9NO3/c1-14-9-4-2-3-8(5-9)10-7-15-12-11(10)6-13/h2-7H,1H3
InChIKeyOIYIEIMBSKKEJP-UHFFFAOYSA-N
XLogP2.16
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 52.16
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-(3-methoxyphenyl)-1,2-oxazole-4-carbaldehyde
CID 82362919
2-(3-methoxyphenyl)-1,3-oxazole-4-carbaldehyde
CID 53407351
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
5-[2-(3-methoxyphenyl)phenyl]furan-2-carbaldehyde
CID 58838892
3-(3-methoxyphenyl)-1-methylpyrrole-2-carbaldehyde
CID 125456181
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
2-(3-methoxyphenyl)-1,3-thiazole-4-carbaldehyde
CID 2117534
5-(3-methoxyphenyl)-1-(2-methylpropyl)triazole-4-carbaldehyde
CID 82208619
3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 57176807
2-[4-formyl-5-(3-methoxyphenyl)triazol-1-yl]acetonitrile
CID 82206461
1-butyl-5-(3-methoxyphenyl)triazole-4-carbaldehyde
CID 82205339

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-1,2-oxazole-3-carbaldehyde?
The IUPAC name of 4-(3-methoxyphenyl)-1,2-oxazole-3-carbaldehyde (CID 105423012) is 4-(3-methoxyphenyl)-1,2-oxazole-3-carbaldehyde.
What is the SMILES notation for 4-(3-methoxyphenyl)-1,2-oxazole-3-carbaldehyde?
The canonical SMILES for 4-(3-methoxyphenyl)-1,2-oxazole-3-carbaldehyde is COc1cccc(-c2conc2C=O)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-1,2-oxazole-3-carbaldehyde?
The InChIKey is OIYIEIMBSKKEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-14-9-4-2-3-8(5-9)10-7-15-12-11(10)6-13/h2-7H,1H3.
What are the key properties of 4-(3-methoxyphenyl)-1,2-oxazole-3-carbaldehyde?
4-(3-methoxyphenyl)-1,2-oxazole-3-carbaldehyde has a molecular weight of 203.20 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-1,2-oxazole-3-carbaldehyde is sourced from PubChem (CID 105423012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).