N-[(4-methoxyphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C19H17F3N2O3 — CID 16681872

IUPACN-[(4-methoxyphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)C2CC(c3ccc(C(F)(F)F)cc3)=NO2)cc1
InChIInChI=1S/C19H17F3N2O3/c1-26-15-8-2-12(3-9-15)11-23-18(25)17-10-16(24-27-17)13-4-6-14(7-5-13)19(20,21)22/h2-9,17H,10-11H2,1H3,(H,23,25)
InChIKeyLBKTWBASCGTRQM-UHFFFAOYSA-N
MW378.35 g/mol
LogP3.52
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

N-[(4-methoxyphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 16681872) has the molecular formula C19H17F3N2O3 and a molecular weight of 378.35 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID16681872
Molecular FormulaC19H17F3N2O3
Molecular Weight378.35 g/mol
Exact Mass378.12
IUPAC NameN-[(4-methoxyphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)C2CC(c3ccc(C(F)(F)F)cc3)=NO2)cc1
InChIInChI=1S/C19H17F3N2O3/c1-26-15-8-2-12(3-9-15)11-23-18(25)17-10-16(24-27-17)13-4-6-14(7-5-13)19(20,21)22/h2-9,17H,10-11H2,1H3,(H,23,25)
InChIKeyLBKTWBASCGTRQM-UHFFFAOYSA-N
XLogP3.52
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 16681872) is N-[(4-methoxyphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is COc1ccc(CNC(=O)C2CC(c3ccc(C(F)(F)F)cc3)=NO2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is LBKTWBASCGTRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O3/c1-26-15-8-2-12(3-9-15)11-23-18(25)17-10-16(24-27-17)13-4-6-14(7-5-13)19(20,21)22/h2-9,17H,10-11H2,1H3,(H,23,25).
What are the key properties of N-[(4-methoxyphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-[(4-methoxyphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 378.35 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 16681872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).