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

C23H21FN4O4S — CID 89469563

IUPAC3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-ylmethyl N-[2-(4-fluoro-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate
SMILESCOc1cc(F)ccc1-c1nc(C)c(NC(=O)OCc2ccc3c(c2)nc2n3CCOC2)s1
InChIInChI=1S/C23H21FN4O4S/c1-13-21(33-22(25-13)16-5-4-15(24)10-19(16)30-2)27-23(29)32-11-14-3-6-18-17(9-14)26-20-12-31-8-7-28(18)20/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,27,29)
InChIKeyXQQHPPJPSMCFOW-UHFFFAOYSA-N
MW468.51 g/mol
LogP4.89
Rot. Bonds5

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

3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-ylmethyl N-[2-(4-fluoro-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate (PubChem CID 89469563) has the molecular formula C23H21FN4O4S and a molecular weight of 468.51 g/mol. Its IUPAC name is 3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-ylmethyl N-[2-(4-fluoro-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate.

Molecular Properties

Compound Name3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-ylmethyl N-[2-(4-fluoro-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate
PubChem CID89469563
Molecular FormulaC23H21FN4O4S
Molecular Weight468.51 g/mol
Exact Mass468.13
IUPAC Name3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-ylmethyl N-[2-(4-fluoro-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate
SMILESCOc1cc(F)ccc1-c1nc(C)c(NC(=O)OCc2ccc3c(c2)nc2n3CCOC2)s1
InChIInChI=1S/C23H21FN4O4S/c1-13-21(33-22(25-13)16-5-4-15(24)10-19(16)30-2)27-23(29)32-11-14-3-6-18-17(9-14)26-20-12-31-8-7-28(18)20/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,27,29)
InChIKeyXQQHPPJPSMCFOW-UHFFFAOYSA-N
XLogP4.89
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-ylmethyl N-[2-(4-fluoro-2-methoxyphenyl)-4-methyl-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-[2-(4-fluoro-2-methoxyphenyl)-4-methyl-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-fluoro-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate (CID 89469563) is 3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-ylmethyl N-[2-(4-fluoro-2-methoxyphenyl)-4-methyl-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-fluoro-2-methoxyphenyl)-4-methyl-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-fluoro-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate is COc1cc(F)ccc1-c1nc(C)c(NC(=O)OCc2ccc3c(c2)nc2n3CCOC2)s1.
What is the InChIKey of 3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-ylmethyl N-[2-(4-fluoro-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate?
The InChIKey is XQQHPPJPSMCFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O4S/c1-13-21(33-22(25-13)16-5-4-15(24)10-19(16)30-2)27-23(29)32-11-14-3-6-18-17(9-14)26-20-12-31-8-7-28(18)20/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,27,29).
What are the key properties of 3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-ylmethyl N-[2-(4-fluoro-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate?
3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-ylmethyl N-[2-(4-fluoro-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate has a molecular weight of 468.51 g/mol, XLogP of 4.89, 5 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-[2-(4-fluoro-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate is sourced from PubChem (CID 89469563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).