ethyl 5-[4-(methanesulfonamido)phenyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate

C20H17F3N2O5S — CID 166154766

IUPACethyl 5-[4-(methanesulfonamido)phenyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)oc1-c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C20H17F3N2O5S/c1-3-29-19(26)16-17(12-6-10-15(11-7-12)25-31(2,27)28)30-18(24-16)13-4-8-14(9-5-13)20(21,22)23/h4-11,25H,3H2,1-2H3
InChIKeyOVRWSGKPZUIILC-UHFFFAOYSA-N
MW454.43 g/mol
LogP4.58
Rot. Bonds6

About ethyl 5-[4-(methanesulfonamido)phenyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate

ethyl 5-[4-(methanesulfonamido)phenyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate (PubChem CID 166154766) has the molecular formula C20H17F3N2O5S and a molecular weight of 454.43 g/mol. Its IUPAC name is ethyl 5-[4-(methanesulfonamido)phenyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[4-(methanesulfonamido)phenyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate
PubChem CID166154766
Molecular FormulaC20H17F3N2O5S
Molecular Weight454.43 g/mol
Exact Mass454.08
IUPAC Nameethyl 5-[4-(methanesulfonamido)phenyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)oc1-c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C20H17F3N2O5S/c1-3-29-19(26)16-17(12-6-10-15(11-7-12)25-31(2,27)28)30-18(24-16)13-4-8-14(9-5-13)20(21,22)23/h4-11,25H,3H2,1-2H3
InChIKeyOVRWSGKPZUIILC-UHFFFAOYSA-N
XLogP4.58
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.43
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(4-tert-butylphenyl)-5-[4-(methylamino)phenyl]-1,3-oxazole-4-carboxylate
CID 70164872
ethyl 2-[4-(4-ethoxycarbonyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylate
CID 54770782
ethyl 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxylate
CID 23563116
ethyl 5-(4-aminophenyl)-2-phenyl-1,3-oxazole-4-carboxylate
CID 70167506
ethyl 5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxylate
CID 2815834
ethyl 2-(4-methylsulfanylphenyl)-5-phenyl-1,3-oxazole-4-carboxylate
CID 166154754
ethyl 4-bromo-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylate
CID 66793071
ethyl 5-[4-[4-(trifluoromethyl)phenyl]anilino]-2H-triazole-4-carboxylate
CID 152940282
N-[4-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide
CID 118730579
ethyl 5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxylate
CID 122477403
ethyl 5-iodo-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole-4-carboxylate
CID 135222439
ethyl 2-[2-(4-methoxyphenyl)-4-methyl-1,3-oxazol-5-yl]-5-phenyl-1,3-oxazole-4-carboxylate
CID 134997790

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[4-(methanesulfonamido)phenyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-[4-(methanesulfonamido)phenyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate (CID 166154766) is ethyl 5-[4-(methanesulfonamido)phenyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[4-(methanesulfonamido)phenyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-[4-(methanesulfonamido)phenyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate is CCOC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)oc1-c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of ethyl 5-[4-(methanesulfonamido)phenyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate?
The InChIKey is OVRWSGKPZUIILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O5S/c1-3-29-19(26)16-17(12-6-10-15(11-7-12)25-31(2,27)28)30-18(24-16)13-4-8-14(9-5-13)20(21,22)23/h4-11,25H,3H2,1-2H3.
What are the key properties of ethyl 5-[4-(methanesulfonamido)phenyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate?
ethyl 5-[4-(methanesulfonamido)phenyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate has a molecular weight of 454.43 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[4-(methanesulfonamido)phenyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 166154766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).