N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-2-methoxybenzamide

C19H17F3N2O4 — CID 59652606

IUPACN-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCc1cccc(C2=NOC(O)(C(F)(F)F)C2)c1
InChIInChI=1S/C19H17F3N2O4/c1-27-16-8-3-2-7-14(16)17(25)23-11-12-5-4-6-13(9-12)15-10-18(26,28-24-15)19(20,21)22/h2-9,26H,10-11H2,1H3,(H,23,25)
InChIKeyKFWWWEFXOZFTFJ-UHFFFAOYSA-N
MW394.35 g/mol
LogP3.00
Rot. Bonds5

About N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-2-methoxybenzamide

N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-2-methoxybenzamide (PubChem CID 59652606) has the molecular formula C19H17F3N2O4 and a molecular weight of 394.35 g/mol. Its IUPAC name is N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-2-methoxybenzamide
PubChem CID59652606
Molecular FormulaC19H17F3N2O4
Molecular Weight394.35 g/mol
Exact Mass394.11
IUPAC NameN-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCc1cccc(C2=NOC(O)(C(F)(F)F)C2)c1
InChIInChI=1S/C19H17F3N2O4/c1-27-16-8-3-2-7-14(16)17(25)23-11-12-5-4-6-13(9-12)15-10-18(26,28-24-15)19(20,21)22/h2-9,26H,10-11H2,1H3,(H,23,25)
InChIKeyKFWWWEFXOZFTFJ-UHFFFAOYSA-N
XLogP3.00
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-3-(2-methoxyphenyl)urea
CID 59652452
N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 59652669
1-benzyl-3-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]urea
CID 59652464
3-amino-N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]benzamide
CID 67593914
N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]quinoline-2-carboxamide
CID 59652607
N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]pyridine-3-carboxamide
CID 59652429
1-(4-chlorophenyl)-3-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]urea
CID 59652635
N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-4-methoxybenzenesulfonamide
CID 25030251
N-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]benzamide
CID 59652423
N-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-2-(3-methoxyphenyl)acetamide
CID 59652657
(3-fluorophenyl)methanamine;N-[(3-fluorophenyl)methyl]-2-methoxybenzamide;2-methoxybenzoyl chloride
CID 167669044
N-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-2-phenylmethoxyacetamide
CID 59652467

Frequently Asked Questions

What is the IUPAC name of N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-2-methoxybenzamide?
The IUPAC name of N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-2-methoxybenzamide (CID 59652606) is N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-2-methoxybenzamide.
What is the SMILES notation for N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-2-methoxybenzamide?
The canonical SMILES for N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCc1cccc(C2=NOC(O)(C(F)(F)F)C2)c1.
What is the InChIKey of N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-2-methoxybenzamide?
The InChIKey is KFWWWEFXOZFTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O4/c1-27-16-8-3-2-7-14(16)17(25)23-11-12-5-4-6-13(9-12)15-10-18(26,28-24-15)19(20,21)22/h2-9,26H,10-11H2,1H3,(H,23,25).
What are the key properties of N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-2-methoxybenzamide?
N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-2-methoxybenzamide has a molecular weight of 394.35 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 59652606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).