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

C19H17F3N2O4 — CID 59652555

IUPACN-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCc2cccc(C3=NOC(O)(C(F)(F)F)C3)c2)c1
InChIInChI=1S/C19H17F3N2O4/c1-27-15-7-3-6-14(9-15)17(25)23-11-12-4-2-5-13(8-12)16-10-18(26,28-24-16)19(20,21)22/h2-9,26H,10-11H2,1H3,(H,23,25)
InChIKeyKBNBABPHSLHJMS-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]-3-methoxybenzamide

N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-3-methoxybenzamide (PubChem CID 59652555) 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]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-3-methoxybenzamide
PubChem CID59652555
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]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCc2cccc(C3=NOC(O)(C(F)(F)F)C3)c2)c1
InChIInChI=1S/C19H17F3N2O4/c1-27-15-7-3-6-14(9-15)17(25)23-11-12-4-2-5-13(8-12)16-10-18(26,28-24-16)19(20,21)22/h2-9,26H,10-11H2,1H3,(H,23,25)
InChIKeyKBNBABPHSLHJMS-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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Frequently Asked Questions

What is the IUPAC name of N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-3-methoxybenzamide?
The IUPAC name of N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-3-methoxybenzamide (CID 59652555) is N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-3-methoxybenzamide.
What is the SMILES notation for N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-3-methoxybenzamide?
The canonical SMILES for N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-3-methoxybenzamide is COc1cccc(C(=O)NCc2cccc(C3=NOC(O)(C(F)(F)F)C3)c2)c1.
What is the InChIKey of N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-3-methoxybenzamide?
The InChIKey is KBNBABPHSLHJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O4/c1-27-15-7-3-6-14(9-15)17(25)23-11-12-4-2-5-13(8-12)16-10-18(26,28-24-16)19(20,21)22/h2-9,26H,10-11H2,1H3,(H,23,25).
What are the key properties of N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-3-methoxybenzamide?
N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-3-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]-3-methoxybenzamide is sourced from PubChem (CID 59652555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).