1-(3-chloro-4-hydroxyphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)indole-3-carbaldehyde

C20H15ClN2O3 — CID 87365150

IUPAC1-(3-chloro-4-hydroxyphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)indole-3-carbaldehyde
SMILESCc1noc(C)c1-c1c(C=O)c2ccccc2n1-c1ccc(O)c(Cl)c1
InChIInChI=1S/C20H15ClN2O3/c1-11-19(12(2)26-22-11)20-15(10-24)14-5-3-4-6-17(14)23(20)13-7-8-18(25)16(21)9-13/h3-10,25H,1-2H3
InChIKeyXHOITOLZLHPUSZ-UHFFFAOYSA-N
MW366.80 g/mol
LogP5.07
Rot. Bonds3

About 1-(3-chloro-4-hydroxyphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)indole-3-carbaldehyde

1-(3-chloro-4-hydroxyphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)indole-3-carbaldehyde (PubChem CID 87365150) has the molecular formula C20H15ClN2O3 and a molecular weight of 366.80 g/mol. Its IUPAC name is 1-(3-chloro-4-hydroxyphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)indole-3-carbaldehyde.

Molecular Properties

Compound Name1-(3-chloro-4-hydroxyphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)indole-3-carbaldehyde
PubChem CID87365150
Molecular FormulaC20H15ClN2O3
Molecular Weight366.80 g/mol
Exact Mass366.08
IUPAC Name1-(3-chloro-4-hydroxyphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)indole-3-carbaldehyde
SMILESCc1noc(C)c1-c1c(C=O)c2ccccc2n1-c1ccc(O)c(Cl)c1
InChIInChI=1S/C20H15ClN2O3/c1-11-19(12(2)26-22-11)20-15(10-24)14-5-3-4-6-17(14)23(20)13-7-8-18(25)16(21)9-13/h3-10,25H,1-2H3
InChIKeyXHOITOLZLHPUSZ-UHFFFAOYSA-N
XLogP5.07
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.80
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(3-chloro-4-hydroxyphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)indole-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-hydroxyphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)indole-3-carbaldehyde?
The IUPAC name of 1-(3-chloro-4-hydroxyphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)indole-3-carbaldehyde (CID 87365150) is 1-(3-chloro-4-hydroxyphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)indole-3-carbaldehyde.
What is the SMILES notation for 1-(3-chloro-4-hydroxyphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)indole-3-carbaldehyde?
The canonical SMILES for 1-(3-chloro-4-hydroxyphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)indole-3-carbaldehyde is Cc1noc(C)c1-c1c(C=O)c2ccccc2n1-c1ccc(O)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-hydroxyphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)indole-3-carbaldehyde?
The InChIKey is XHOITOLZLHPUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O3/c1-11-19(12(2)26-22-11)20-15(10-24)14-5-3-4-6-17(14)23(20)13-7-8-18(25)16(21)9-13/h3-10,25H,1-2H3.
What are the key properties of 1-(3-chloro-4-hydroxyphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)indole-3-carbaldehyde?
1-(3-chloro-4-hydroxyphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)indole-3-carbaldehyde has a molecular weight of 366.80 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-hydroxyphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)indole-3-carbaldehyde is sourced from PubChem (CID 87365150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).