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

C22H14F5N3O2 — CID 143627652

IUPACN-[(2,4-difluorophenyl)methyl]-5-methyl-2-[2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2cccc3nc(C(F)(F)F)ccc23)nc1C(=O)NCc1ccc(F)cc1F
InChIInChI=1S/C22H14F5N3O2/c1-11-19(20(31)28-10-12-5-6-13(23)9-16(12)24)30-21(32-11)15-3-2-4-17-14(15)7-8-18(29-17)22(25,26)27/h2-9H,10H2,1H3,(H,28,31)
InChIKeyMNKWVICTQHIGAQ-UHFFFAOYSA-N
MW447.36 g/mol
LogP5.43
Rot. Bonds4

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

N-[(2,4-difluorophenyl)methyl]-5-methyl-2-[2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide (PubChem CID 143627652) has the molecular formula C22H14F5N3O2 and a molecular weight of 447.36 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-5-methyl-2-[2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-5-methyl-2-[2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide
PubChem CID143627652
Molecular FormulaC22H14F5N3O2
Molecular Weight447.36 g/mol
Exact Mass447.10
IUPAC NameN-[(2,4-difluorophenyl)methyl]-5-methyl-2-[2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2cccc3nc(C(F)(F)F)ccc23)nc1C(=O)NCc1ccc(F)cc1F
InChIInChI=1S/C22H14F5N3O2/c1-11-19(20(31)28-10-12-5-6-13(23)9-16(12)24)30-21(32-11)15-3-2-4-17-14(15)7-8-18(29-17)22(25,26)27/h2-9H,10H2,1H3,(H,28,31)
InChIKeyMNKWVICTQHIGAQ-UHFFFAOYSA-N
XLogP5.43
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.36
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-[(2,4-difluorophenyl)methyl]-2-[8-hydroxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide
CID 148860253
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
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
N-[(4-fluorophenyl)methyl]-5-methyl-2-(2-methylphenyl)-1,3-oxazole-4-carboxamide
CID 122175442
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
CID 59668325
3-[(2,4-difluorophenyl)methylcarbamoyl]benzoic acid
CID 62229810
(2,4-difluorophenyl)methylcarbamic acid
CID 23207286
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
N-(2,4-difluorophenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 26360076
N-[(2,4-difluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide
CID 171561065
2-(2-fluorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 122175341

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-5-methyl-2-[2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-5-methyl-2-[2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide (CID 143627652) is N-[(2,4-difluorophenyl)methyl]-5-methyl-2-[2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-5-methyl-2-[2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-5-methyl-2-[2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide is Cc1oc(-c2cccc3nc(C(F)(F)F)ccc23)nc1C(=O)NCc1ccc(F)cc1F.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-5-methyl-2-[2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is MNKWVICTQHIGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F5N3O2/c1-11-19(20(31)28-10-12-5-6-13(23)9-16(12)24)30-21(32-11)15-3-2-4-17-14(15)7-8-18(29-17)22(25,26)27/h2-9H,10H2,1H3,(H,28,31).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-5-methyl-2-[2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide?
N-[(2,4-difluorophenyl)methyl]-5-methyl-2-[2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 447.36 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-5-methyl-2-[2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 143627652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).