8-(4-methoxyphenyl)-2-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole

C21H16N2O2S — CID 24747813

IUPAC8-(4-methoxyphenyl)-2-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole
SMILESCOc1ccc(-c2noc3c2-c2nc(-c4ccccc4)sc2CC3)cc1
InChIInChI=1S/C21H16N2O2S/c1-24-15-9-7-13(8-10-15)19-18-16(25-23-19)11-12-17-20(18)22-21(26-17)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKeyPCCWDXVVCLTCNO-UHFFFAOYSA-N
MW360.44 g/mol
LogP5.24
Rot. Bonds3

About 8-(4-methoxyphenyl)-2-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole

8-(4-methoxyphenyl)-2-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole (PubChem CID 24747813) has the molecular formula C21H16N2O2S and a molecular weight of 360.44 g/mol. Its IUPAC name is 8-(4-methoxyphenyl)-2-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole.

Molecular Properties

Compound Name8-(4-methoxyphenyl)-2-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole
PubChem CID24747813
Molecular FormulaC21H16N2O2S
Molecular Weight360.44 g/mol
Exact Mass360.09
IUPAC Name8-(4-methoxyphenyl)-2-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole
SMILESCOc1ccc(-c2noc3c2-c2nc(-c4ccccc4)sc2CC3)cc1
InChIInChI=1S/C21H16N2O2S/c1-24-15-9-7-13(8-10-15)19-18-16(25-23-19)11-12-17-20(18)22-21(26-17)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKeyPCCWDXVVCLTCNO-UHFFFAOYSA-N
XLogP5.24
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.44
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-(4-methoxyphenyl)-2-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole 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 8-(4-methoxyphenyl)-2-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole?
The IUPAC name of 8-(4-methoxyphenyl)-2-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole (CID 24747813) is 8-(4-methoxyphenyl)-2-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole.
What is the SMILES notation for 8-(4-methoxyphenyl)-2-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole?
The canonical SMILES for 8-(4-methoxyphenyl)-2-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole is COc1ccc(-c2noc3c2-c2nc(-c4ccccc4)sc2CC3)cc1.
What is the InChIKey of 8-(4-methoxyphenyl)-2-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole?
The InChIKey is PCCWDXVVCLTCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2S/c1-24-15-9-7-13(8-10-15)19-18-16(25-23-19)11-12-17-20(18)22-21(26-17)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3.
What are the key properties of 8-(4-methoxyphenyl)-2-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole?
8-(4-methoxyphenyl)-2-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole has a molecular weight of 360.44 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methoxyphenyl)-2-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole is sourced from PubChem (CID 24747813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).