6-methoxy-5-(1,3-oxazol-5-yl)-2-phenyl-1H-indole-3-carbaldehyde

C19H14N2O3 — CID 22238485

IUPAC6-methoxy-5-(1,3-oxazol-5-yl)-2-phenyl-1H-indole-3-carbaldehyde
SMILESCOc1cc2[nH]c(-c3ccccc3)c(C=O)c2cc1-c1cnco1
InChIInChI=1S/C19H14N2O3/c1-23-17-8-16-13(7-14(17)18-9-20-11-24-18)15(10-22)19(21-16)12-5-3-2-4-6-12/h2-11,21H,1H3
InChIKeyGEBHKLFQAVRTKT-UHFFFAOYSA-N
MW318.33 g/mol
LogP4.31
Rot. Bonds4

About 6-methoxy-5-(1,3-oxazol-5-yl)-2-phenyl-1H-indole-3-carbaldehyde

6-methoxy-5-(1,3-oxazol-5-yl)-2-phenyl-1H-indole-3-carbaldehyde (PubChem CID 22238485) has the molecular formula C19H14N2O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is 6-methoxy-5-(1,3-oxazol-5-yl)-2-phenyl-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name6-methoxy-5-(1,3-oxazol-5-yl)-2-phenyl-1H-indole-3-carbaldehyde
PubChem CID22238485
Molecular FormulaC19H14N2O3
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC Name6-methoxy-5-(1,3-oxazol-5-yl)-2-phenyl-1H-indole-3-carbaldehyde
SMILESCOc1cc2[nH]c(-c3ccccc3)c(C=O)c2cc1-c1cnco1
InChIInChI=1S/C19H14N2O3/c1-23-17-8-16-13(7-14(17)18-9-20-11-24-18)15(10-22)19(21-16)12-5-3-2-4-6-12/h2-11,21H,1H3
InChIKeyGEBHKLFQAVRTKT-UHFFFAOYSA-N
XLogP4.31
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-(1,3-oxazol-5-yl)-2-phenyl-1H-indole-3-carbaldehyde?
The IUPAC name of 6-methoxy-5-(1,3-oxazol-5-yl)-2-phenyl-1H-indole-3-carbaldehyde (CID 22238485) is 6-methoxy-5-(1,3-oxazol-5-yl)-2-phenyl-1H-indole-3-carbaldehyde.
What is the SMILES notation for 6-methoxy-5-(1,3-oxazol-5-yl)-2-phenyl-1H-indole-3-carbaldehyde?
The canonical SMILES for 6-methoxy-5-(1,3-oxazol-5-yl)-2-phenyl-1H-indole-3-carbaldehyde is COc1cc2[nH]c(-c3ccccc3)c(C=O)c2cc1-c1cnco1.
What is the InChIKey of 6-methoxy-5-(1,3-oxazol-5-yl)-2-phenyl-1H-indole-3-carbaldehyde?
The InChIKey is GEBHKLFQAVRTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3/c1-23-17-8-16-13(7-14(17)18-9-20-11-24-18)15(10-22)19(21-16)12-5-3-2-4-6-12/h2-11,21H,1H3.
What are the key properties of 6-methoxy-5-(1,3-oxazol-5-yl)-2-phenyl-1H-indole-3-carbaldehyde?
6-methoxy-5-(1,3-oxazol-5-yl)-2-phenyl-1H-indole-3-carbaldehyde has a molecular weight of 318.33 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-(1,3-oxazol-5-yl)-2-phenyl-1H-indole-3-carbaldehyde is sourced from PubChem (CID 22238485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).