N-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4-methoxy-2,6-bis(trifluoromethyl)benzamide

C19H14F6N2O3 — CID 166443212

IUPACN-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4-methoxy-2,6-bis(trifluoromethyl)benzamide
SMILESCOc1cc(C(F)(F)F)c(C(=O)Nc2ccccc2C2=NCCO2)c(C(F)(F)F)c1
InChIInChI=1S/C19H14F6N2O3/c1-29-10-8-12(18(20,21)22)15(13(9-10)19(23,24)25)16(28)27-14-5-3-2-4-11(14)17-26-6-7-30-17/h2-5,8-9H,6-7H2,1H3,(H,27,28)
InChIKeyXPNGKSNCKOOSJF-UHFFFAOYSA-N
MW432.32 g/mol
LogP4.76
Rot. Bonds4

About N-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4-methoxy-2,6-bis(trifluoromethyl)benzamide

N-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4-methoxy-2,6-bis(trifluoromethyl)benzamide (PubChem CID 166443212) has the molecular formula C19H14F6N2O3 and a molecular weight of 432.32 g/mol. Its IUPAC name is N-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4-methoxy-2,6-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4-methoxy-2,6-bis(trifluoromethyl)benzamide
PubChem CID166443212
Molecular FormulaC19H14F6N2O3
Molecular Weight432.32 g/mol
Exact Mass432.09
IUPAC NameN-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4-methoxy-2,6-bis(trifluoromethyl)benzamide
SMILESCOc1cc(C(F)(F)F)c(C(=O)Nc2ccccc2C2=NCCO2)c(C(F)(F)F)c1
InChIInChI=1S/C19H14F6N2O3/c1-29-10-8-12(18(20,21)22)15(13(9-10)19(23,24)25)16(28)27-14-5-3-2-4-11(14)17-26-6-7-30-17/h2-5,8-9H,6-7H2,1H3,(H,27,28)
InChIKeyXPNGKSNCKOOSJF-UHFFFAOYSA-N
XLogP4.76
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.32
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4-methoxy-2,6-bis(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4-methoxy-2,6-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4-methoxy-2,6-bis(trifluoromethyl)benzamide (CID 166443212) is N-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4-methoxy-2,6-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4-methoxy-2,6-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4-methoxy-2,6-bis(trifluoromethyl)benzamide is COc1cc(C(F)(F)F)c(C(=O)Nc2ccccc2C2=NCCO2)c(C(F)(F)F)c1.
What is the InChIKey of N-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4-methoxy-2,6-bis(trifluoromethyl)benzamide?
The InChIKey is XPNGKSNCKOOSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F6N2O3/c1-29-10-8-12(18(20,21)22)15(13(9-10)19(23,24)25)16(28)27-14-5-3-2-4-11(14)17-26-6-7-30-17/h2-5,8-9H,6-7H2,1H3,(H,27,28).
What are the key properties of N-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4-methoxy-2,6-bis(trifluoromethyl)benzamide?
N-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4-methoxy-2,6-bis(trifluoromethyl)benzamide has a molecular weight of 432.32 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4-methoxy-2,6-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 166443212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).