N-cyclohexyl-8-fluoro-3,3a,4,9b-tetrahydrothiochromeno[4,3-c][1,2]oxazole-1-carboxamide

C17H21FN2O2S — CID 46933845

IUPACN-cyclohexyl-8-fluoro-3,3a,4,9b-tetrahydrothiochromeno[4,3-c][1,2]oxazole-1-carboxamide
SMILESO=C(NC1CCCCC1)N1OCC2CSc3ccc(F)cc3C21
InChIInChI=1S/C17H21FN2O2S/c18-12-6-7-15-14(8-12)16-11(10-23-15)9-22-20(16)17(21)19-13-4-2-1-3-5-13/h6-8,11,13,16H,1-5,9-10H2,(H,19,21)
InChIKeyWPNGDOZEXVRNMZ-UHFFFAOYSA-N
MW336.43 g/mol
LogP3.88
Rot. Bonds1

About N-cyclohexyl-8-fluoro-3,3a,4,9b-tetrahydrothiochromeno[4,3-c][1,2]oxazole-1-carboxamide

N-cyclohexyl-8-fluoro-3,3a,4,9b-tetrahydrothiochromeno[4,3-c][1,2]oxazole-1-carboxamide (PubChem CID 46933845) has the molecular formula C17H21FN2O2S and a molecular weight of 336.43 g/mol. Its IUPAC name is N-cyclohexyl-8-fluoro-3,3a,4,9b-tetrahydrothiochromeno[4,3-c][1,2]oxazole-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-8-fluoro-3,3a,4,9b-tetrahydrothiochromeno[4,3-c][1,2]oxazole-1-carboxamide
PubChem CID46933845
Molecular FormulaC17H21FN2O2S
Molecular Weight336.43 g/mol
Exact Mass336.13
IUPAC NameN-cyclohexyl-8-fluoro-3,3a,4,9b-tetrahydrothiochromeno[4,3-c][1,2]oxazole-1-carboxamide
SMILESO=C(NC1CCCCC1)N1OCC2CSc3ccc(F)cc3C21
InChIInChI=1S/C17H21FN2O2S/c18-12-6-7-15-14(8-12)16-11(10-23-15)9-22-20(16)17(21)19-13-4-2-1-3-5-13/h6-8,11,13,16H,1-5,9-10H2,(H,19,21)
InChIKeyWPNGDOZEXVRNMZ-UHFFFAOYSA-N
XLogP3.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-8-fluoro-3,3a,4,9b-tetrahydrothiochromeno[4,3-c][1,2]oxazole-1-carboxamide?
The IUPAC name of N-cyclohexyl-8-fluoro-3,3a,4,9b-tetrahydrothiochromeno[4,3-c][1,2]oxazole-1-carboxamide (CID 46933845) is N-cyclohexyl-8-fluoro-3,3a,4,9b-tetrahydrothiochromeno[4,3-c][1,2]oxazole-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-8-fluoro-3,3a,4,9b-tetrahydrothiochromeno[4,3-c][1,2]oxazole-1-carboxamide?
The canonical SMILES for N-cyclohexyl-8-fluoro-3,3a,4,9b-tetrahydrothiochromeno[4,3-c][1,2]oxazole-1-carboxamide is O=C(NC1CCCCC1)N1OCC2CSc3ccc(F)cc3C21.
What is the InChIKey of N-cyclohexyl-8-fluoro-3,3a,4,9b-tetrahydrothiochromeno[4,3-c][1,2]oxazole-1-carboxamide?
The InChIKey is WPNGDOZEXVRNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2S/c18-12-6-7-15-14(8-12)16-11(10-23-15)9-22-20(16)17(21)19-13-4-2-1-3-5-13/h6-8,11,13,16H,1-5,9-10H2,(H,19,21).
What are the key properties of N-cyclohexyl-8-fluoro-3,3a,4,9b-tetrahydrothiochromeno[4,3-c][1,2]oxazole-1-carboxamide?
N-cyclohexyl-8-fluoro-3,3a,4,9b-tetrahydrothiochromeno[4,3-c][1,2]oxazole-1-carboxamide has a molecular weight of 336.43 g/mol, XLogP of 3.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-8-fluoro-3,3a,4,9b-tetrahydrothiochromeno[4,3-c][1,2]oxazole-1-carboxamide is sourced from PubChem (CID 46933845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).