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'}

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Related Compounds

4-[4-chloro-2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(hydroxyiminomethyl)indol-1-yl]phenol
CID 140566192
4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-nitrosoethyl)indol-1-yl]phenol
CID 123984363
2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-hydroxyphenyl)indole-1-carbaldehyde
CID 67108937
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxyphenyl)indol-3-yl]-3-hydroxythiourea
CID 118071948
4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(Z)-N-hydroxy-C-(trifluoromethyl)carbonimidoyl]indol-1-yl]phenol
CID 58392048
4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[N-hydroxy-C-(trifluoromethyl)carbonimidoyl]indol-1-yl]phenol
CID 76774516
1-(4-hydroxyphenyl)-2-methylindole-3-carbaldehyde
CID 87772568
[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxyphenyl)indol-3-yl] N'-hydroxycarbamimidothioate
CID 87196301
4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(E)-hydroxyiminomethyl]indol-3-yl]phenol
CID 87271783
1-(3-chloro-4-hydroxyphenyl)-2-phenylindole-3-carbonitrile
CID 66885885
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-ethyl-1-(4-hydroxyphenyl)pyrazole-4-carbaldehyde
CID 88851136
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxyphenyl)indol-3-yl]acetamide;2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxyphenyl)indol-3-amine;N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxyphenyl)indol-3-yl]acetamide;4-[1-(4-methoxyphenyl)-3-nitroindol-2-yl]-3,5-dimethyl-1,2-oxazole
CID 159238061

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).