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

C19H17F3N2O4 — CID 59652657

IUPACN-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)Nc2ccc(C3=NOC(O)(C(F)(F)F)C3)cc2)c1
InChIInChI=1S/C19H17F3N2O4/c1-27-15-4-2-3-12(9-15)10-17(25)23-14-7-5-13(6-8-14)16-11-18(26,28-24-16)19(20,21)22/h2-9,26H,10-11H2,1H3,(H,23,25)
InChIKeyPJECSAMIYSBGKC-UHFFFAOYSA-N
MW394.35 g/mol
LogP3.25
Rot. Bonds5

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

N-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-2-(3-methoxyphenyl)acetamide (PubChem CID 59652657) has the molecular formula C19H17F3N2O4 and a molecular weight of 394.35 g/mol. Its IUPAC name is N-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-2-(3-methoxyphenyl)acetamide
PubChem CID59652657
Molecular FormulaC19H17F3N2O4
Molecular Weight394.35 g/mol
Exact Mass394.11
IUPAC NameN-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)Nc2ccc(C3=NOC(O)(C(F)(F)F)C3)cc2)c1
InChIInChI=1S/C19H17F3N2O4/c1-27-15-4-2-3-12(9-15)10-17(25)23-14-7-5-13(6-8-14)16-11-18(26,28-24-16)19(20,21)22/h2-9,26H,10-11H2,1H3,(H,23,25)
InChIKeyPJECSAMIYSBGKC-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-phenylpropanamide
CID 59652404
N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 59652669
(5S)-3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 1364720
2-(3-methoxyphenyl)-N-phenylacetamide
CID 2598681
2-(3-methoxyphenyl)-N-[4-(thiadiazol-4-yl)phenyl]acetamide
CID 154795771
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
1-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-3-(2-methoxyphenyl)urea
CID 59652452
2-(3-methoxyphenyl)-N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]acetamide
CID 131909721
N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-2-methoxybenzamide
CID 59652606
2-(3-methoxyphenyl)-N-(4-pyrazol-1-ylphenyl)acetamide
CID 31907046
4-[[2-(3-methoxyphenyl)acetyl]amino]-N-methylbenzamide
CID 26679644

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-2-(3-methoxyphenyl)acetamide (CID 59652657) is N-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)Nc2ccc(C3=NOC(O)(C(F)(F)F)C3)cc2)c1.
What is the InChIKey of N-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-2-(3-methoxyphenyl)acetamide?
The InChIKey is PJECSAMIYSBGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O4/c1-27-15-4-2-3-12(9-15)10-17(25)23-14-7-5-13(6-8-14)16-11-18(26,28-24-16)19(20,21)22/h2-9,26H,10-11H2,1H3,(H,23,25).
What are the key properties of N-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-2-(3-methoxyphenyl)acetamide?
N-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-2-(3-methoxyphenyl)acetamide has a molecular weight of 394.35 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 59652657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).