methyl 3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]benzoate

C18H13F3N2O3 — CID 139441273

IUPACmethyl 3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]benzoate
SMILESCOC(=O)c1cccc(-c2cnc(Nc3ccc(C(F)(F)F)cc3)o2)c1
InChIInChI=1S/C18H13F3N2O3/c1-25-16(24)12-4-2-3-11(9-12)15-10-22-17(26-15)23-14-7-5-13(6-8-14)18(19,20)21/h2-10H,1H3,(H,22,23)
InChIKeyNIESERWABORKJB-UHFFFAOYSA-N
MW362.31 g/mol
LogP4.89
Rot. Bonds4

About methyl 3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]benzoate

methyl 3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]benzoate (PubChem CID 139441273) has the molecular formula C18H13F3N2O3 and a molecular weight of 362.31 g/mol. Its IUPAC name is methyl 3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]benzoate.

Molecular Properties

Compound Namemethyl 3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]benzoate
PubChem CID139441273
Molecular FormulaC18H13F3N2O3
Molecular Weight362.31 g/mol
Exact Mass362.09
IUPAC Namemethyl 3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]benzoate
SMILESCOC(=O)c1cccc(-c2cnc(Nc3ccc(C(F)(F)F)cc3)o2)c1
InChIInChI=1S/C18H13F3N2O3/c1-25-16(24)12-4-2-3-11(9-12)15-10-22-17(26-15)23-14-7-5-13(6-8-14)18(19,20)21/h2-10H,1H3,(H,22,23)
InChIKeyNIESERWABORKJB-UHFFFAOYSA-N
XLogP4.89
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]benzoate with MolForge

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

Launch Full Analysis

Related Compounds

1-[3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]phenyl]ethanone
CID 157392121
methyl 3-(2-anilino-1,3-oxazol-5-yl)benzoate
CID 139441240
3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzoic acid
CID 139441300
3-[2-(4-hydroxyanilino)-1,3-oxazol-5-yl]benzoic acid
CID 46880468
trimethyl-[2-[3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]phenoxy]ethyl]azanium
CID 156518203
methyl 3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzoate
CID 177007637
1-[3-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone
CID 158393367
methyl 5-[[5-(3,4-difluorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxylate
CID 155585480
3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]benzoic acid
CID 139434520
1-[4-methyl-3-[(5-pyridin-3-yl-1,3-oxazol-2-yl)amino]phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 11305537
1-hydroxy-6-methyl-4-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridin-2-one
CID 155585257
5-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine
CID 156506688

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]benzoate?
The IUPAC name of methyl 3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]benzoate (CID 139441273) is methyl 3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]benzoate.
What is the SMILES notation for methyl 3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]benzoate?
The canonical SMILES for methyl 3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]benzoate is COC(=O)c1cccc(-c2cnc(Nc3ccc(C(F)(F)F)cc3)o2)c1.
What is the InChIKey of methyl 3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]benzoate?
The InChIKey is NIESERWABORKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O3/c1-25-16(24)12-4-2-3-11(9-12)15-10-22-17(26-15)23-14-7-5-13(6-8-14)18(19,20)21/h2-10H,1H3,(H,22,23).
What are the key properties of methyl 3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]benzoate?
methyl 3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]benzoate has a molecular weight of 362.31 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]benzoate is sourced from PubChem (CID 139441273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).