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

C21H22N2O2S — CID 24789518

IUPAC2-cyclohexyl-8-(4-methoxyphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole
SMILESCOc1ccc(-c2noc3c2-c2nc(C4CCCCC4)sc2CC3)cc1
InChIInChI=1S/C21H22N2O2S/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/h7-10,14H,2-6,11-12H2,1H3
InChIKeyGEJIVVJNRRZWOU-UHFFFAOYSA-N
MW366.49 g/mol
LogP5.62
Rot. Bonds3

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

2-cyclohexyl-8-(4-methoxyphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole (PubChem CID 24789518) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is 2-cyclohexyl-8-(4-methoxyphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole.

Molecular Properties

Compound Name2-cyclohexyl-8-(4-methoxyphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole
PubChem CID24789518
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Name2-cyclohexyl-8-(4-methoxyphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole
SMILESCOc1ccc(-c2noc3c2-c2nc(C4CCCCC4)sc2CC3)cc1
InChIInChI=1S/C21H22N2O2S/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/h7-10,14H,2-6,11-12H2,1H3
InChIKeyGEJIVVJNRRZWOU-UHFFFAOYSA-N
XLogP5.62
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.49
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Isoxazole, 5-[5-[4-(4,5-dimethyl-2-thiazolyl)phenoxy]pentyl]-3-methyl-
CID 5273093
8-(4-Bromophenyl)-2-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole
CID 23641192
8-(4-Bromophenyl)-2-propyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole
CID 23641194
8-(4-Methoxyphenyl)-2-(2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole
CID 24747776
8-(4-Methoxyphenyl)-2-propan-2-yl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole
CID 24747779
2-(4-Bromophenyl)-8-(4-methoxyphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole
CID 24747812
2-(2-Fluorophenyl)-8-(4-methoxyphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole
CID 24789515
2-(2,6-Difluorophenyl)-8-(4-methoxyphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole
CID 24789516
8-(4-Methoxyphenyl)-2-(3-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole
CID 24789517
8-(4-Methoxyphenyl)-2-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole
CID 24747813
2-(4-Chlorophenyl)-8-(4-methoxyphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole
CID 24789519
8-(4-Bromophenyl)-2-(3-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole
CID 24793374

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-8-(4-methoxyphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole?
The IUPAC name of 2-cyclohexyl-8-(4-methoxyphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole (CID 24789518) is 2-cyclohexyl-8-(4-methoxyphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole.
What is the SMILES notation for 2-cyclohexyl-8-(4-methoxyphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole?
The canonical SMILES for 2-cyclohexyl-8-(4-methoxyphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole is COc1ccc(-c2noc3c2-c2nc(C4CCCCC4)sc2CC3)cc1.
What is the InChIKey of 2-cyclohexyl-8-(4-methoxyphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole?
The InChIKey is GEJIVVJNRRZWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/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/h7-10,14H,2-6,11-12H2,1H3.
What are the key properties of 2-cyclohexyl-8-(4-methoxyphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole?
2-cyclohexyl-8-(4-methoxyphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole has a molecular weight of 366.49 g/mol, XLogP of 5.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-8-(4-methoxyphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole is sourced from PubChem (CID 24789518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).