3-[2-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-1-(1,3-thiazol-2-yl)-10H-phenothiazin-4-yl]-1,2,5-oxadiazole

C23H12N6O3S2 — CID 141047470

IUPAC3-[2-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-1-(1,3-thiazol-2-yl)-10H-phenothiazin-4-yl]-1,2,5-oxadiazole
SMILESc1ccc2c(c1)Nc1c(c(-c3cnon3)c(-c3ncco3)c(-c3ccon3)c1-c1nccs1)S2
InChIInChI=1S/C23H12N6O3S2/c1-2-4-15-12(3-1)27-20-19(23-25-7-10-33-23)16(13-5-8-31-28-13)18(22-24-6-9-30-22)17(21(20)34-15)14-11-26-32-29-14/h1-11,27H
InChIKeyOUKMKMYBDQBBCR-UHFFFAOYSA-N
MW484.52 g/mol
LogP6.38
Rot. Bonds4

About 3-[2-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-1-(1,3-thiazol-2-yl)-10H-phenothiazin-4-yl]-1,2,5-oxadiazole

3-[2-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-1-(1,3-thiazol-2-yl)-10H-phenothiazin-4-yl]-1,2,5-oxadiazole (PubChem CID 141047470) has the molecular formula C23H12N6O3S2 and a molecular weight of 484.52 g/mol. Its IUPAC name is 3-[2-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-1-(1,3-thiazol-2-yl)-10H-phenothiazin-4-yl]-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-[2-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-1-(1,3-thiazol-2-yl)-10H-phenothiazin-4-yl]-1,2,5-oxadiazole
PubChem CID141047470
Molecular FormulaC23H12N6O3S2
Molecular Weight484.52 g/mol
Exact Mass484.04
IUPAC Name3-[2-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-1-(1,3-thiazol-2-yl)-10H-phenothiazin-4-yl]-1,2,5-oxadiazole
SMILESc1ccc2c(c1)Nc1c(c(-c3cnon3)c(-c3ncco3)c(-c3ccon3)c1-c1nccs1)S2
InChIInChI=1S/C23H12N6O3S2/c1-2-4-15-12(3-1)27-20-19(23-25-7-10-33-23)16(13-5-8-31-28-13)18(22-24-6-9-30-22)17(21(20)34-15)14-11-26-32-29-14/h1-11,27H
InChIKeyOUKMKMYBDQBBCR-UHFFFAOYSA-N
XLogP6.38
TPSA115.90 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500484.52
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 3-[2-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-1-(1,3-thiazol-2-yl)-10H-phenothiazin-4-yl]-1,2,5-oxadiazole with MolForge

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Related Compounds

4-[6-(1,2-Oxazol-3-yl)-7-(1,3-oxazol-2-yl)-2-(thiadiazol-4-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)quinolin-3-yl]oxadiazole
CID 141007723
3-[2-(1,2-Benzothiazol-3-yl)-3-(1,3-benzothiazol-2-yl)-4-(1-benzothiophen-2-yl)-6-(1,3-oxazol-2-yl)quinolin-5-yl]-1,2-benzoxazole
CID 141170663
2-[3-(1,3-benzothiazol-2-yl)-8-(furan-2-yl)-7-(1H-indol-2-yl)-6-(2H-isoindol-1-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)quinolin-2-yl]-1,3-benzoxazole
CID 141193689
2-[7-(1,2-oxazol-3-yl)-3,8-bis(1H-pyrrol-2-yl)-1-quinolin-2-yl-4-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)isoquinolin-5-yl]-1,3-oxazole
CID 141223350
2-[6-(1,2-oxazol-3-yl)-2-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-7-thiophen-2-ylquinolin-4-yl]-1,3-oxazole
CID 141223362
4-[7-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-2-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)quinolin-5-yl]oxadiazole
CID 141374333

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-1-(1,3-thiazol-2-yl)-10H-phenothiazin-4-yl]-1,2,5-oxadiazole?
The IUPAC name of 3-[2-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-1-(1,3-thiazol-2-yl)-10H-phenothiazin-4-yl]-1,2,5-oxadiazole (CID 141047470) is 3-[2-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-1-(1,3-thiazol-2-yl)-10H-phenothiazin-4-yl]-1,2,5-oxadiazole.
What is the SMILES notation for 3-[2-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-1-(1,3-thiazol-2-yl)-10H-phenothiazin-4-yl]-1,2,5-oxadiazole?
The canonical SMILES for 3-[2-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-1-(1,3-thiazol-2-yl)-10H-phenothiazin-4-yl]-1,2,5-oxadiazole is c1ccc2c(c1)Nc1c(c(-c3cnon3)c(-c3ncco3)c(-c3ccon3)c1-c1nccs1)S2.
What is the InChIKey of 3-[2-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-1-(1,3-thiazol-2-yl)-10H-phenothiazin-4-yl]-1,2,5-oxadiazole?
The InChIKey is OUKMKMYBDQBBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H12N6O3S2/c1-2-4-15-12(3-1)27-20-19(23-25-7-10-33-23)16(13-5-8-31-28-13)18(22-24-6-9-30-22)17(21(20)34-15)14-11-26-32-29-14/h1-11,27H.
What are the key properties of 3-[2-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-1-(1,3-thiazol-2-yl)-10H-phenothiazin-4-yl]-1,2,5-oxadiazole?
3-[2-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-1-(1,3-thiazol-2-yl)-10H-phenothiazin-4-yl]-1,2,5-oxadiazole has a molecular weight of 484.52 g/mol, XLogP of 6.38, 4 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-1-(1,3-thiazol-2-yl)-10H-phenothiazin-4-yl]-1,2,5-oxadiazole is sourced from PubChem (CID 141047470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).