1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]indole-6-carbaldehyde

C15H15N3O2 — CID 102911290

IUPAC1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]indole-6-carbaldehyde
SMILESCC(C)c1noc(Cn2ccc3ccc(C=O)cc32)n1
InChIInChI=1S/C15H15N3O2/c1-10(2)15-16-14(20-17-15)8-18-6-5-12-4-3-11(9-19)7-13(12)18/h3-7,9-10H,8H2,1-2H3
InChIKeyQEKRIJQDWBGLGP-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.01
Rot. Bonds4

About 1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]indole-6-carbaldehyde

1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]indole-6-carbaldehyde (PubChem CID 102911290) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]indole-6-carbaldehyde.

Molecular Properties

Compound Name1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]indole-6-carbaldehyde
PubChem CID102911290
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]indole-6-carbaldehyde
SMILESCC(C)c1noc(Cn2ccc3ccc(C=O)cc32)n1
InChIInChI=1S/C15H15N3O2/c1-10(2)15-16-14(20-17-15)8-18-6-5-12-4-3-11(9-19)7-13(12)18/h3-7,9-10H,8H2,1-2H3
InChIKeyQEKRIJQDWBGLGP-UHFFFAOYSA-N
XLogP3.01
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-methylphenyl)methyl]indole-6-carbaldehyde
CID 17221168
1-[(2,4,6-trimethylphenyl)methyl]indole-6-carbaldehyde
CID 102910928
4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
CID 30029227
5-[(7-chloroindol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 103475272
1-[(4-hydroxyphenyl)methyl]indole-6-carbaldehyde
CID 102911304
3-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one
CID 115637804
1-butylindole-6-carbaldehyde
CID 102910960
1-[(5-chloro-2-fluorophenyl)methyl]indole-6-carbaldehyde
CID 103047362
1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]indole-5-carbaldehyde
CID 102910715
[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methanol
CID 66399089
1-(3-hydroxypropyl)indole-6-carbaldehyde
CID 102911092
2-(6-formylindol-1-yl)acetamide
CID 28958282

Frequently Asked Questions

What is the IUPAC name of 1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]indole-6-carbaldehyde?
The IUPAC name of 1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]indole-6-carbaldehyde (CID 102911290) is 1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]indole-6-carbaldehyde.
What is the SMILES notation for 1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]indole-6-carbaldehyde?
The canonical SMILES for 1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]indole-6-carbaldehyde is CC(C)c1noc(Cn2ccc3ccc(C=O)cc32)n1.
What is the InChIKey of 1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]indole-6-carbaldehyde?
The InChIKey is QEKRIJQDWBGLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-10(2)15-16-14(20-17-15)8-18-6-5-12-4-3-11(9-19)7-13(12)18/h3-7,9-10H,8H2,1-2H3.
What are the key properties of 1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]indole-6-carbaldehyde?
1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]indole-6-carbaldehyde has a molecular weight of 269.30 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]indole-6-carbaldehyde is sourced from PubChem (CID 102911290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).