N-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine

C37H33F6N7O3S — CID 159678348

IUPACN-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
SMILESFC(F)(F)c1cccc(-c2ccc3c(n2)NCCO3)c1.O=C(Nc1ncc(CN2CCCC2)s1)N1CCOc2ccc(-c3cccc(C(F)(F)F)c3)nc21
InChIInChI=1S/C23H22F3N5O2S.C14H11F3N2O/c24-23(25,26)16-5-3-4-15(12-16)18-6-7-19-20(28-18)31(10-11-33-19)22(32)29-21-27-13-17(34-21)14-30-8-1-2-9-30;15-14(16,17)10-3-1-2-9(8-10)11-4-5-12-13(19-11)18-6-7-20-12/h3-7,12-13H,1-2,8-11,14H2,(H,27,29,32);1-5,8H,6-7H2,(H,18,19)
InChIKeyMUWZQMWPLLBJDD-UHFFFAOYSA-N
MW769.77 g/mol
LogP8.82
Rot. Bonds5

About N-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine

N-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine (PubChem CID 159678348) has the molecular formula C37H33F6N7O3S and a molecular weight of 769.77 g/mol. Its IUPAC name is N-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine.

Molecular Properties

Compound NameN-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
PubChem CID159678348
Molecular FormulaC37H33F6N7O3S
Molecular Weight769.77 g/mol
Exact Mass769.23
IUPAC NameN-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
SMILESFC(F)(F)c1cccc(-c2ccc3c(n2)NCCO3)c1.O=C(Nc1ncc(CN2CCCC2)s1)N1CCOc2ccc(-c3cccc(C(F)(F)F)c3)nc21
InChIInChI=1S/C23H22F3N5O2S.C14H11F3N2O/c24-23(25,26)16-5-3-4-15(12-16)18-6-7-19-20(28-18)31(10-11-33-19)22(32)29-21-27-13-17(34-21)14-30-8-1-2-9-30;15-14(16,17)10-3-1-2-9(8-10)11-4-5-12-13(19-11)18-6-7-20-12/h3-7,12-13H,1-2,8-11,14H2,(H,27,29,32);1-5,8H,6-7H2,(H,18,19)
InChIKeyMUWZQMWPLLBJDD-UHFFFAOYSA-N
XLogP8.82
TPSA104.74 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.77
LogP ≤ 58.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine with MolForge

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Related Compounds

N-(thiazol-2-yl)-6-(3-(trifluoromethyl)phenyl)-2H-pyrido[3,2-b][1,4]oxazine-4(3H)-carboxamide
CID 52914962
N-(2-pyrrolidin-1-ylpyridin-4-yl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 53233229
3-(2,6-difluorophenyl)-7-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
CID 71547323
3-(2,6-difluorophenyl)-7-(5-ethyl-2-pyridin-3-yl-1,3-thiazol-4-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
CID 71547403
3-(2,6-difluorophenyl)-7-(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
CID 71547404
1-(4-Fluorophenyl)-3-[2-(4-methoxyanilino)-5-[4-methyl-5-(2,2,2-trifluoroethoxy)pyridin-2-yl]-1,3-thiazol-4-yl]urea
CID 86636820
8-methyl-N-(4-methyl-1,3-thiazol-2-yl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 87295228
N-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 87296129
6-[3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)pyridin-2-yl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 88943349
1-[6-[6-[2-(2-Oxopyrrolidin-1-yl)-1,3-thiazol-5-yl]pyridin-3-yl]oxypyridin-3-yl]-3-[2-phenyl-5-(trifluoromethyl)pyridin-3-yl]urea
CID 117921596
N-(2-pyrrolidin-1-ylpyridin-4-yl)-6-[3-(trifluoromethyl)phenyl]-8-[4-[[5-[[6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbonyl]amino]pyridin-2-yl]methyl]morpholin-2-yl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 123288601
N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-[3-(trifluoromethoxy)phenyl]quinolin-8-yl]acetamide
CID 140201168

Frequently Asked Questions

What is the IUPAC name of N-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The IUPAC name of N-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine (CID 159678348) is N-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine.
What is the SMILES notation for N-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The canonical SMILES for N-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine is FC(F)(F)c1cccc(-c2ccc3c(n2)NCCO3)c1.O=C(Nc1ncc(CN2CCCC2)s1)N1CCOc2ccc(-c3cccc(C(F)(F)F)c3)nc21.
What is the InChIKey of N-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The InChIKey is MUWZQMWPLLBJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N5O2S.C14H11F3N2O/c24-23(25,26)16-5-3-4-15(12-16)18-6-7-19-20(28-18)31(10-11-33-19)22(32)29-21-27-13-17(34-21)14-30-8-1-2-9-30;15-14(16,17)10-3-1-2-9(8-10)11-4-5-12-13(19-11)18-6-7-20-12/h3-7,12-13H,1-2,8-11,14H2,(H,27,29,32);1-5,8H,6-7H2,(H,18,19).
What are the key properties of N-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
N-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine has a molecular weight of 769.77 g/mol, XLogP of 8.82, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine is sourced from PubChem (CID 159678348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).