5-(aminomethyl)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide

C18H14F6N4O3 — CID 143146663

IUPAC5-(aminomethyl)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)NCC(F)(F)F)c(CN)o2)c2ccc(C(F)(F)F)nc12
InChIInChI=1S/C18H14F6N4O3/c1-30-10-4-2-9(8-3-5-12(18(22,23)24)27-13(8)10)16-28-14(11(6-25)31-16)15(29)26-7-17(19,20)21/h2-5H,6-7,25H2,1H3,(H,26,29)
InChIKeyMHRYLYPGPLUKBS-UHFFFAOYSA-N
MW448.32 g/mol
LogP3.67
Rot. Bonds5

About 5-(aminomethyl)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide

5-(aminomethyl)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide (PubChem CID 143146663) has the molecular formula C18H14F6N4O3 and a molecular weight of 448.32 g/mol. Its IUPAC name is 5-(aminomethyl)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
PubChem CID143146663
Molecular FormulaC18H14F6N4O3
Molecular Weight448.32 g/mol
Exact Mass448.10
IUPAC Name5-(aminomethyl)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)NCC(F)(F)F)c(CN)o2)c2ccc(C(F)(F)F)nc12
InChIInChI=1S/C18H14F6N4O3/c1-30-10-4-2-9(8-3-5-12(18(22,23)24)27-13(8)10)16-28-14(11(6-25)31-16)15(29)26-7-17(19,20)21/h2-5H,6-7,25H2,1H3,(H,26,29)
InChIKeyMHRYLYPGPLUKBS-UHFFFAOYSA-N
XLogP3.67
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.32
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(aminomethyl)-N-[(2-aminopyrimidin-5-yl)methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide
CID 154546463
5-(aminomethyl)-N-[[1-(cyclopropanecarbonylamino)cyclopropyl]methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide
CID 143146386
5-(aminomethyl)-N-(1-benzothiophen-5-ylmethyl)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide
CID 70328943
5-(aminomethyl)-N-[(3-ethoxy-1-methyl-2H-pyrazin-2-yl)methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide
CID 143146529
5-(aminomethyl)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-(2,3,7,8-tetrahydro-1,4-benzodioxin-5-ylmethyl)-1,3-oxazole-4-carboxamide
CID 143146850
5-[(2S)-2-aminobutyl]-N-(cyclopropylmethyl)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide
CID 143146404
5-(aminomethyl)-N-(2-iminocyclopentyl)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide
CID 154546476
5-(aminomethyl)-N-[[2-(cyclopropylamino)-3-pyridinyl]methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide
CID 70329482
N-[2-amino-1-(2,4-dichlorophenyl)-2-oxoethyl]-5-(aminomethyl)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide
CID 162551256
5-(aminomethyl)-N-[(2R)-2-[1-[[(Z)-but-2-enylidene]amino]ethenylamino]propyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide
CID 70329911
[4-ethenyl-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-5-yl]methanamine
CID 70328908
5-(aminomethyl)-N-[(2S)-1-[1-[[(Z)-but-2-enylidene]amino]ethenylamino]propan-2-yl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide
CID 70329914

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(aminomethyl)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide (CID 143146663) is 5-(aminomethyl)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(aminomethyl)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide is COc1ccc(-c2nc(C(=O)NCC(F)(F)F)c(CN)o2)c2ccc(C(F)(F)F)nc12.
What is the InChIKey of 5-(aminomethyl)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is MHRYLYPGPLUKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F6N4O3/c1-30-10-4-2-9(8-3-5-12(18(22,23)24)27-13(8)10)16-28-14(11(6-25)31-16)15(29)26-7-17(19,20)21/h2-5H,6-7,25H2,1H3,(H,26,29).
What are the key properties of 5-(aminomethyl)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide?
5-(aminomethyl)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 448.32 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 143146663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).