3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-ylmethyl N-[2-(4-chloro-2-methylphenyl)-4-ethyl-1,3-thiazol-5-yl]carbamate

C24H23ClN4O3S — CID 89459620

About 3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-ylmethyl N-[2-(4-chloro-2-methylphenyl)-4-ethyl-1,3-thiazol-5-yl]carbamate

3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-ylmethyl N-[2-(4-chloro-2-methylphenyl)-4-ethyl-1,3-thiazol-5-yl]carbamate (PubChem CID 89459620) has the molecular formula C24H23ClN4O3S and a molecular weight of 482.99 g/mol. Its IUPAC name is 3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-ylmethyl N-[2-(4-chloro-2-methylphenyl)-4-ethyl-1,3-thiazol-5-yl]carbamate.

Molecular Properties

• Compound Name: 3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-ylmethyl N-[2-(4-chloro-2-methylphenyl)-4-ethyl-1,3-thiazol-5-yl]carbamate
• PubChem CID: 89459620
• Molecular Formula: C24H23ClN4O3S
• Molecular Weight: 482.99 g/mol
• Exact Mass: 482.12
• IUPAC Name: 3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-ylmethyl N-[2-(4-chloro-2-methylphenyl)-4-ethyl-1,3-thiazol-5-yl]carbamate
• SMILES: CCc1nc(-c2ccc(Cl)cc2C)sc1NC(=O)OCc1ccc2c(c1)nc1n2CCOC1
• InChI: InChI=1S/C24H23ClN4O3S/c1-3-18-23(33-22(27-18)17-6-5-16(25)10-14(17)2)28-24(30)32-12-15-4-7-20-19(11-15)26-21-13-31-9-8-29(20)21/h4-7,10-11H,3,8-9,12-13H2,1-2H3,(H,28,30)
• InChIKey: QPPZKNQAWMTQCS-UHFFFAOYSA-N
• XLogP: 5.96
• TPSA: 78.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.99
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-ylmethyl N-[2-(4-chloro-2-methylphenyl)-4-ethyl-1,3-thiazol-5-yl]carbamate?

The IUPAC name of 3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-ylmethyl N-[2-(4-chloro-2-methylphenyl)-4-ethyl-1,3-thiazol-5-yl]carbamate (CID 89459620) is 3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-ylmethyl N-[2-(4-chloro-2-methylphenyl)-4-ethyl-1,3-thiazol-5-yl]carbamate.

What is the SMILES notation for 3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-ylmethyl N-[2-(4-chloro-2-methylphenyl)-4-ethyl-1,3-thiazol-5-yl]carbamate?

The canonical SMILES for 3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-ylmethyl N-[2-(4-chloro-2-methylphenyl)-4-ethyl-1,3-thiazol-5-yl]carbamate is CCc1nc(-c2ccc(Cl)cc2C)sc1NC(=O)OCc1ccc2c(c1)nc1n2CCOC1.

What is the InChIKey of 3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-ylmethyl N-[2-(4-chloro-2-methylphenyl)-4-ethyl-1,3-thiazol-5-yl]carbamate?

The InChIKey is QPPZKNQAWMTQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O3S/c1-3-18-23(33-22(27-18)17-6-5-16(25)10-14(17)2)28-24(30)32-12-15-4-7-20-19(11-15)26-21-13-31-9-8-29(20)21/h4-7,10-11H,3,8-9,12-13H2,1-2H3,(H,28,30).

What are the key properties of 3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-ylmethyl N-[2-(4-chloro-2-methylphenyl)-4-ethyl-1,3-thiazol-5-yl]carbamate?

3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-ylmethyl N-[2-(4-chloro-2-methylphenyl)-4-ethyl-1,3-thiazol-5-yl]carbamate has a molecular weight of 482.99 g/mol, XLogP of 5.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-ylmethyl N-[2-(4-chloro-2-methylphenyl)-4-ethyl-1,3-thiazol-5-yl]carbamate is sourced from PubChem (CID 89459620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).