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

C24H23FN4O4S — CID 89459615

IUPAC3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-ylmethyl N-[4-ethyl-2-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-5-yl]carbamate
SMILESCCc1nc(-c2ccc(F)cc2OC)sc1NC(=O)OCc1ccc2c(c1)nc1n2CCOC1
InChIInChI=1S/C24H23FN4O4S/c1-3-17-23(34-22(27-17)16-6-5-15(25)11-20(16)31-2)28-24(30)33-12-14-4-7-19-18(10-14)26-21-13-32-9-8-29(19)21/h4-7,10-11H,3,8-9,12-13H2,1-2H3,(H,28,30)
InChIKeyDCLKNHLLXCBYBC-UHFFFAOYSA-N
MW482.54 g/mol
LogP5.15
Rot. Bonds6

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

3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-ylmethyl N-[4-ethyl-2-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-5-yl]carbamate (PubChem CID 89459615) has the molecular formula C24H23FN4O4S and a molecular weight of 482.54 g/mol. Its IUPAC name is 3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-ylmethyl N-[4-ethyl-2-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-5-yl]carbamate.

Molecular Properties

Compound Name3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-ylmethyl N-[4-ethyl-2-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-5-yl]carbamate
PubChem CID89459615
Molecular FormulaC24H23FN4O4S
Molecular Weight482.54 g/mol
Exact Mass482.14
IUPAC Name3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-ylmethyl N-[4-ethyl-2-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-5-yl]carbamate
SMILESCCc1nc(-c2ccc(F)cc2OC)sc1NC(=O)OCc1ccc2c(c1)nc1n2CCOC1
InChIInChI=1S/C24H23FN4O4S/c1-3-17-23(34-22(27-17)16-6-5-15(25)11-20(16)31-2)28-24(30)33-12-14-4-7-19-18(10-14)26-21-13-32-9-8-29(19)21/h4-7,10-11H,3,8-9,12-13H2,1-2H3,(H,28,30)
InChIKeyDCLKNHLLXCBYBC-UHFFFAOYSA-N
XLogP5.15
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.54
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-ylmethyl N-[4-ethyl-2-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-5-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-ylmethyl N-[4-ethyl-2-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-5-yl]carbamate?
The IUPAC name of 3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-ylmethyl N-[4-ethyl-2-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-5-yl]carbamate (CID 89459615) is 3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-ylmethyl N-[4-ethyl-2-(4-fluoro-2-methoxyphenyl)-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-[4-ethyl-2-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-5-yl]carbamate?
The canonical SMILES for 3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-ylmethyl N-[4-ethyl-2-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-5-yl]carbamate is CCc1nc(-c2ccc(F)cc2OC)sc1NC(=O)OCc1ccc2c(c1)nc1n2CCOC1.
What is the InChIKey of 3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-ylmethyl N-[4-ethyl-2-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-5-yl]carbamate?
The InChIKey is DCLKNHLLXCBYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O4S/c1-3-17-23(34-22(27-17)16-6-5-15(25)11-20(16)31-2)28-24(30)33-12-14-4-7-19-18(10-14)26-21-13-32-9-8-29(19)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-[4-ethyl-2-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-5-yl]carbamate?
3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-ylmethyl N-[4-ethyl-2-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-5-yl]carbamate has a molecular weight of 482.54 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 8 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-[4-ethyl-2-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-5-yl]carbamate is sourced from PubChem (CID 89459615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).