5-fluoro-7-methoxy-1-(1,2-oxazol-5-ylmethyl)indole-2-carbaldehyde

C14H11FN2O3 — CID 170338530

IUPAC5-fluoro-7-methoxy-1-(1,2-oxazol-5-ylmethyl)indole-2-carbaldehyde
SMILESCOc1cc(F)cc2cc(C=O)n(Cc3ccno3)c12
InChIInChI=1S/C14H11FN2O3/c1-19-13-6-10(15)4-9-5-11(8-18)17(14(9)13)7-12-2-3-16-20-12/h2-6,8H,7H2,1H3
InChIKeyQJYWLQOGLVGLHP-UHFFFAOYSA-N
MW274.25 g/mol
LogP2.64
Rot. Bonds4

About 5-fluoro-7-methoxy-1-(1,2-oxazol-5-ylmethyl)indole-2-carbaldehyde

5-fluoro-7-methoxy-1-(1,2-oxazol-5-ylmethyl)indole-2-carbaldehyde (PubChem CID 170338530) has the molecular formula C14H11FN2O3 and a molecular weight of 274.25 g/mol. Its IUPAC name is 5-fluoro-7-methoxy-1-(1,2-oxazol-5-ylmethyl)indole-2-carbaldehyde.

Molecular Properties

Compound Name5-fluoro-7-methoxy-1-(1,2-oxazol-5-ylmethyl)indole-2-carbaldehyde
PubChem CID170338530
Molecular FormulaC14H11FN2O3
Molecular Weight274.25 g/mol
Exact Mass274.08
IUPAC Name5-fluoro-7-methoxy-1-(1,2-oxazol-5-ylmethyl)indole-2-carbaldehyde
SMILESCOc1cc(F)cc2cc(C=O)n(Cc3ccno3)c12
InChIInChI=1S/C14H11FN2O3/c1-19-13-6-10(15)4-9-5-11(8-18)17(14(9)13)7-12-2-3-16-20-12/h2-6,8H,7H2,1H3
InChIKeyQJYWLQOGLVGLHP-UHFFFAOYSA-N
XLogP2.64
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-methoxy-1-(1,2-oxazol-5-ylmethyl)indole-2-carbaldehyde?
The IUPAC name of 5-fluoro-7-methoxy-1-(1,2-oxazol-5-ylmethyl)indole-2-carbaldehyde (CID 170338530) is 5-fluoro-7-methoxy-1-(1,2-oxazol-5-ylmethyl)indole-2-carbaldehyde.
What is the SMILES notation for 5-fluoro-7-methoxy-1-(1,2-oxazol-5-ylmethyl)indole-2-carbaldehyde?
The canonical SMILES for 5-fluoro-7-methoxy-1-(1,2-oxazol-5-ylmethyl)indole-2-carbaldehyde is COc1cc(F)cc2cc(C=O)n(Cc3ccno3)c12.
What is the InChIKey of 5-fluoro-7-methoxy-1-(1,2-oxazol-5-ylmethyl)indole-2-carbaldehyde?
The InChIKey is QJYWLQOGLVGLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3/c1-19-13-6-10(15)4-9-5-11(8-18)17(14(9)13)7-12-2-3-16-20-12/h2-6,8H,7H2,1H3.
What are the key properties of 5-fluoro-7-methoxy-1-(1,2-oxazol-5-ylmethyl)indole-2-carbaldehyde?
5-fluoro-7-methoxy-1-(1,2-oxazol-5-ylmethyl)indole-2-carbaldehyde has a molecular weight of 274.25 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-methoxy-1-(1,2-oxazol-5-ylmethyl)indole-2-carbaldehyde is sourced from PubChem (CID 170338530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).