4-[5-(1-propan-2-ylindazol-5-yl)-1,2,4-oxadiazol-3-yl]benzaldehyde

C19H16N4O2 — CID 90355929

IUPAC4-[5-(1-propan-2-ylindazol-5-yl)-1,2,4-oxadiazol-3-yl]benzaldehyde
SMILESCC(C)n1ncc2cc(-c3nc(-c4ccc(C=O)cc4)no3)ccc21
InChIInChI=1S/C19H16N4O2/c1-12(2)23-17-8-7-15(9-16(17)10-20-23)19-21-18(22-25-19)14-5-3-13(11-24)4-6-14/h3-12H,1-2H3
InChIKeyOUSLXFPYPZKKSG-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.15
Rot. Bonds4

About 4-[5-(1-propan-2-ylindazol-5-yl)-1,2,4-oxadiazol-3-yl]benzaldehyde

4-[5-(1-propan-2-ylindazol-5-yl)-1,2,4-oxadiazol-3-yl]benzaldehyde (PubChem CID 90355929) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 4-[5-(1-propan-2-ylindazol-5-yl)-1,2,4-oxadiazol-3-yl]benzaldehyde.

Molecular Properties

Compound Name4-[5-(1-propan-2-ylindazol-5-yl)-1,2,4-oxadiazol-3-yl]benzaldehyde
PubChem CID90355929
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name4-[5-(1-propan-2-ylindazol-5-yl)-1,2,4-oxadiazol-3-yl]benzaldehyde
SMILESCC(C)n1ncc2cc(-c3nc(-c4ccc(C=O)cc4)no3)ccc21
InChIInChI=1S/C19H16N4O2/c1-12(2)23-17-8-7-15(9-16(17)10-20-23)19-21-18(22-25-19)14-5-3-13(11-24)4-6-14/h3-12H,1-2H3
InChIKeyOUSLXFPYPZKKSG-UHFFFAOYSA-N
XLogP4.15
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-4-[5-(1-propan-2-ylindazol-5-yl)-1,2,4-oxadiazol-3-yl]benzaldehyde
CID 90356079
(2R)-2-[[3-methyl-4-[5-(1-propan-2-ylindazol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]methylamino]propanoic acid
CID 78321650
4-[5-[4-[(2S)-butan-2-yl]oxyphenyl]-1,2,4-oxadiazol-3-yl]benzaldehyde
CID 18446972
4-[3-(3-bromo-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]benzaldehyde
CID 59556690
4-[5-[4-[(2S)-butan-2-yl]oxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]benzaldehyde
CID 18446970
(2R)-2-methyl-9-(1-propan-2-ylindazol-5-yl)-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 121278146
N-methyl-1-propan-2-ylindazol-5-amine
CID 89371360
N'-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]ethane-1,2-diamine
CID 153382387
5-[3-[1-(4-oxobutyl)indazol-5-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxypyridine-3-carbonitrile
CID 89137853
5-(3,4-dimethoxyphenyl)-3-(3-propan-2-ylbenzotriazol-5-yl)-1,2,4-oxadiazole
CID 53172650
1-amino-5-[5-(1-propan-2-ylindol-5-yl)-1,2,4-oxadiazol-3-yl]-4H-naphthalene-1-carbaldehyde
CID 135340412
3-[5-[5-(3-ethyl-4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]indazol-1-yl]propanoic acid
CID 25063090

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-propan-2-ylindazol-5-yl)-1,2,4-oxadiazol-3-yl]benzaldehyde?
The IUPAC name of 4-[5-(1-propan-2-ylindazol-5-yl)-1,2,4-oxadiazol-3-yl]benzaldehyde (CID 90355929) is 4-[5-(1-propan-2-ylindazol-5-yl)-1,2,4-oxadiazol-3-yl]benzaldehyde.
What is the SMILES notation for 4-[5-(1-propan-2-ylindazol-5-yl)-1,2,4-oxadiazol-3-yl]benzaldehyde?
The canonical SMILES for 4-[5-(1-propan-2-ylindazol-5-yl)-1,2,4-oxadiazol-3-yl]benzaldehyde is CC(C)n1ncc2cc(-c3nc(-c4ccc(C=O)cc4)no3)ccc21.
What is the InChIKey of 4-[5-(1-propan-2-ylindazol-5-yl)-1,2,4-oxadiazol-3-yl]benzaldehyde?
The InChIKey is OUSLXFPYPZKKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-12(2)23-17-8-7-15(9-16(17)10-20-23)19-21-18(22-25-19)14-5-3-13(11-24)4-6-14/h3-12H,1-2H3.
What are the key properties of 4-[5-(1-propan-2-ylindazol-5-yl)-1,2,4-oxadiazol-3-yl]benzaldehyde?
4-[5-(1-propan-2-ylindazol-5-yl)-1,2,4-oxadiazol-3-yl]benzaldehyde has a molecular weight of 332.36 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-propan-2-ylindazol-5-yl)-1,2,4-oxadiazol-3-yl]benzaldehyde is sourced from PubChem (CID 90355929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).