5-(aminomethyl)-N-[(2,4-difluorophenyl)methyl]-2-[8-hydroxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide

C22H15F5N4O3 — CID 148860253

IUPAC5-(aminomethyl)-N-[(2,4-difluorophenyl)methyl]-2-[8-hydroxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide
SMILESNCc1oc(-c2ccc(O)c3nc(C(F)(F)F)ccc23)nc1C(=O)NCc1ccc(F)cc1F
InChIInChI=1S/C22H15F5N4O3/c23-11-2-1-10(14(24)7-11)9-29-20(33)19-16(8-28)34-21(31-19)13-3-5-15(32)18-12(13)4-6-17(30-18)22(25,26)27/h1-7,32H,8-9,28H2,(H,29,33)
InChIKeyOZEKCWJYJZCSPH-UHFFFAOYSA-N
MW478.38 g/mol
LogP4.28
Rot. Bonds5

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

5-(aminomethyl)-N-[(2,4-difluorophenyl)methyl]-2-[8-hydroxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide (PubChem CID 148860253) has the molecular formula C22H15F5N4O3 and a molecular weight of 478.38 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[(2,4-difluorophenyl)methyl]-2-[8-hydroxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[(2,4-difluorophenyl)methyl]-2-[8-hydroxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide
PubChem CID148860253
Molecular FormulaC22H15F5N4O3
Molecular Weight478.38 g/mol
Exact Mass478.11
IUPAC Name5-(aminomethyl)-N-[(2,4-difluorophenyl)methyl]-2-[8-hydroxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide
SMILESNCc1oc(-c2ccc(O)c3nc(C(F)(F)F)ccc23)nc1C(=O)NCc1ccc(F)cc1F
InChIInChI=1S/C22H15F5N4O3/c23-11-2-1-10(14(24)7-11)9-29-20(33)19-16(8-28)34-21(31-19)13-3-5-15(32)18-12(13)4-6-17(30-18)22(25,26)27/h1-7,32H,8-9,28H2,(H,29,33)
InChIKeyOZEKCWJYJZCSPH-UHFFFAOYSA-N
XLogP4.28
TPSA114.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.38
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(aminomethyl)-N-(4,5-dihydro-1-benzothiophen-3-ylmethyl)-2-[8-hydroxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide;ethane
CID 143146546
N-[(2,4-difluorophenyl)methyl]-5-methyl-2-[2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide
CID 143627652
5-[(1S)-1-amino-2-hydroxyethyl]-N-[(2,4-difluorophenyl)methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide;(Z)-but-2-enedioic acid;hydrate
CID 24739417
5-[(1S)-1-acetamido-2-[(2-methylpropan-2-yl)oxy]ethyl]-N-[(2-fluoro-4-methylphenyl)methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide;(2,4-difluorophenyl)methanamine
CID 158366023
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)-2-(3,4-diethoxyphenyl)-N-[(2,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 144949409
5-(aminomethyl)-N-[[2-(cyclopropylamino)-3-pyridinyl]methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide
CID 70329482
5-(aminomethyl)-N-[[4-[(Z)-1-amino-2-sulfanylethenyl]phenyl]methyl]-2-[8-propoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide
CID 162551312
tert-butyl (4S)-4-[4-[(2,4-difluorophenyl)methylcarbamoyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-5-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 59668331
5-(aminomethyl)-2-(3,4-diethoxyphenyl)-N-[(2,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide;ethane
CID 144949408
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-[(1S)-1-amino-2-hydroxyethyl]-N-[(2,4-difluorophenyl)methyl]-2-(8-methoxy-2-methylquinolin-5-yl)-1,3-oxazole-4-carboxamide
CID 24775909

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[(2,4-difluorophenyl)methyl]-2-[8-hydroxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-[(2,4-difluorophenyl)methyl]-2-[8-hydroxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide (CID 148860253) is 5-(aminomethyl)-N-[(2,4-difluorophenyl)methyl]-2-[8-hydroxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-[(2,4-difluorophenyl)methyl]-2-[8-hydroxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-[(2,4-difluorophenyl)methyl]-2-[8-hydroxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide is NCc1oc(-c2ccc(O)c3nc(C(F)(F)F)ccc23)nc1C(=O)NCc1ccc(F)cc1F.
What is the InChIKey of 5-(aminomethyl)-N-[(2,4-difluorophenyl)methyl]-2-[8-hydroxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is OZEKCWJYJZCSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F5N4O3/c23-11-2-1-10(14(24)7-11)9-29-20(33)19-16(8-28)34-21(31-19)13-3-5-15(32)18-12(13)4-6-17(30-18)22(25,26)27/h1-7,32H,8-9,28H2,(H,29,33).
What are the key properties of 5-(aminomethyl)-N-[(2,4-difluorophenyl)methyl]-2-[8-hydroxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide?
5-(aminomethyl)-N-[(2,4-difluorophenyl)methyl]-2-[8-hydroxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 478.38 g/mol, XLogP of 4.28, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[(2,4-difluorophenyl)methyl]-2-[8-hydroxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 148860253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).