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

C11H9NO3 — CID 53407351

IUPAC2-(3-methoxyphenyl)-1,3-oxazole-4-carbaldehyde
SMILESCOc1cccc(-c2nc(C=O)co2)c1
InChIInChI=1S/C11H9NO3/c1-14-10-4-2-3-8(5-10)11-12-9(6-13)7-15-11/h2-7H,1H3
InChIKeyYDMNLGWLOAPWIM-UHFFFAOYSA-N
MW203.20 g/mol
LogP2.16
Rot. Bonds3

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

2-(3-methoxyphenyl)-1,3-oxazole-4-carbaldehyde (PubChem CID 53407351) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1,3-oxazole-4-carbaldehyde.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1,3-oxazole-4-carbaldehyde
PubChem CID53407351
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name2-(3-methoxyphenyl)-1,3-oxazole-4-carbaldehyde
SMILESCOc1cccc(-c2nc(C=O)co2)c1
InChIInChI=1S/C11H9NO3/c1-14-10-4-2-3-8(5-10)11-12-9(6-13)7-15-11/h2-7H,1H3
InChIKeyYDMNLGWLOAPWIM-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

4-ethyl-2-(3-methoxyphenyl)-1,3-oxazole
CID 22352547
4-(iodomethyl)-2-(3-methoxyphenyl)-1,3-oxazole
CID 57434521
2-(3-methoxyphenyl)-1,3-thiazole-4-carbaldehyde
CID 2117534
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
3-(3-methoxyphenyl)-1,2-oxazole-4-carbaldehyde
CID 82362919
4-(3-methoxyphenyl)-1,2-oxazole-3-carbaldehyde
CID 105423012
2-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]acetaldehyde
CID 115079231
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
benzyl 2-(3-methoxyphenyl)-1,3-oxazole-4-carboxylate
CID 46201740
N-[[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 65288587
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1,3-oxazole-4-carbaldehyde?
The IUPAC name of 2-(3-methoxyphenyl)-1,3-oxazole-4-carbaldehyde (CID 53407351) is 2-(3-methoxyphenyl)-1,3-oxazole-4-carbaldehyde.
What is the SMILES notation for 2-(3-methoxyphenyl)-1,3-oxazole-4-carbaldehyde?
The canonical SMILES for 2-(3-methoxyphenyl)-1,3-oxazole-4-carbaldehyde is COc1cccc(-c2nc(C=O)co2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-1,3-oxazole-4-carbaldehyde?
The InChIKey is YDMNLGWLOAPWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-14-10-4-2-3-8(5-10)11-12-9(6-13)7-15-11/h2-7H,1H3.
What are the key properties of 2-(3-methoxyphenyl)-1,3-oxazole-4-carbaldehyde?
2-(3-methoxyphenyl)-1,3-oxazole-4-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 2-(3-methoxyphenyl)-1,3-oxazole-4-carbaldehyde is sourced from PubChem (CID 53407351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).