[4-ethenyl-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-5-yl]methanamine

C17H14F3N3O2 — CID 70328908

IUPAC[4-ethenyl-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-5-yl]methanamine
SMILESC=Cc1nc(-c2ccc(OC)c3nc(C(F)(F)F)ccc23)oc1CN
InChIInChI=1S/C17H14F3N3O2/c1-3-11-13(8-21)25-16(22-11)10-4-6-12(24-2)15-9(10)5-7-14(23-15)17(18,19)20/h3-7H,1,8,21H2,2H3
InChIKeyDDPJKMVSRRTOOG-UHFFFAOYSA-N
MW349.31 g/mol
LogP4.02
Rot. Bonds4

About [4-ethenyl-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-5-yl]methanamine

[4-ethenyl-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-5-yl]methanamine (PubChem CID 70328908) has the molecular formula C17H14F3N3O2 and a molecular weight of 349.31 g/mol. Its IUPAC name is [4-ethenyl-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-ethenyl-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-5-yl]methanamine
PubChem CID70328908
Molecular FormulaC17H14F3N3O2
Molecular Weight349.31 g/mol
Exact Mass349.10
IUPAC Name[4-ethenyl-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-5-yl]methanamine
SMILESC=Cc1nc(-c2ccc(OC)c3nc(C(F)(F)F)ccc23)oc1CN
InChIInChI=1S/C17H14F3N3O2/c1-3-11-13(8-21)25-16(22-11)10-4-6-12(24-2)15-9(10)5-7-14(23-15)17(18,19)20/h3-7H,1,8,21H2,2H3
InChIKeyDDPJKMVSRRTOOG-UHFFFAOYSA-N
XLogP4.02
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N-[(2,4-difluorophenyl)methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide
CID 11547713
5-[(1S)-1-aminoethyl]-N-[(2,4-difluorophenyl)methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide
CID 11598626
[5-Aminomethyl-2-(8-methoxy-2-trifluoromethyl-quinolin-5-yl)-oxazol-4-yl]-[4-(pyridine-2-carbonyl)-piperazin-1-yl]-methanone
CID 11635241
5-[(1S)-1-aminoethyl]-N-[(3,4-difluorophenyl)methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide
CID 11649109
[5-aminomethyl-2-(8-methoxy-2-trifluoromethyl-quinolin-5-yl)-oxazol-4-yl]-[4-(5-methyl-1H-pyrazole-3-carbonyl)-piperazin-1-yl]-methanone
CID 16727125
8-[5-Aminomethyl-2-(8-methoxy-2-trifluoromethyl-quinolin-5-yl)-oxazole-4-carbonyl]-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one
CID 44441833
5-[(1S)-1-aminoethyl]-N-[(2-fluorophenyl)methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide
CID 57600737
5-[(1S)-1-aminoethyl]-N-[(2,4-dichlorophenyl)methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide
CID 57600809
5-[(1S)-1-aminoethyl]-N-[(2-chloro-6-fluorophenyl)methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide
CID 57600813
5-[(1S)-1-aminopropyl]-N-[(4-chlorophenyl)methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide
CID 57600842
5-[(1S)-1-aminoethyl]-N-[(3-fluorophenyl)methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide
CID 57600960
5-(aminomethyl)-N-[(2-chloro-6-fluorophenyl)methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide
CID 57601175

Frequently Asked Questions

What is the IUPAC name of [4-ethenyl-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-5-yl]methanamine?
The IUPAC name of [4-ethenyl-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-5-yl]methanamine (CID 70328908) is [4-ethenyl-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-5-yl]methanamine.
What is the SMILES notation for [4-ethenyl-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-5-yl]methanamine?
The canonical SMILES for [4-ethenyl-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-5-yl]methanamine is C=Cc1nc(-c2ccc(OC)c3nc(C(F)(F)F)ccc23)oc1CN.
What is the InChIKey of [4-ethenyl-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-5-yl]methanamine?
The InChIKey is DDPJKMVSRRTOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2/c1-3-11-13(8-21)25-16(22-11)10-4-6-12(24-2)15-9(10)5-7-14(23-15)17(18,19)20/h3-7H,1,8,21H2,2H3.
What are the key properties of [4-ethenyl-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-5-yl]methanamine?
[4-ethenyl-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-5-yl]methanamine has a molecular weight of 349.31 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethenyl-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-5-yl]methanamine is sourced from PubChem (CID 70328908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).