N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-3-methyl-4-(trifluoromethyl)-1,2-oxazole-5-carboxamide

C18H16F3N3O4 — CID 146152069

IUPACN-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-3-methyl-4-(trifluoromethyl)-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(-c2nc(CCNC(=O)c3onc(C)c3C(F)(F)F)co2)cc1
InChIInChI=1S/C18H16F3N3O4/c1-10-14(18(19,20)21)15(28-24-10)16(25)22-8-7-12-9-27-17(23-12)11-3-5-13(26-2)6-4-11/h3-6,9H,7-8H2,1-2H3,(H,22,25)
InChIKeyLMFQYJIEKQKGBK-UHFFFAOYSA-N
MW395.34 g/mol
LogP3.64
Rot. Bonds6

About N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-3-methyl-4-(trifluoromethyl)-1,2-oxazole-5-carboxamide

N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-3-methyl-4-(trifluoromethyl)-1,2-oxazole-5-carboxamide (PubChem CID 146152069) has the molecular formula C18H16F3N3O4 and a molecular weight of 395.34 g/mol. Its IUPAC name is N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-3-methyl-4-(trifluoromethyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-3-methyl-4-(trifluoromethyl)-1,2-oxazole-5-carboxamide
PubChem CID146152069
Molecular FormulaC18H16F3N3O4
Molecular Weight395.34 g/mol
Exact Mass395.11
IUPAC NameN-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-3-methyl-4-(trifluoromethyl)-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(-c2nc(CCNC(=O)c3onc(C)c3C(F)(F)F)co2)cc1
InChIInChI=1S/C18H16F3N3O4/c1-10-14(18(19,20)21)15(28-24-10)16(25)22-8-7-12-9-27-17(23-12)11-3-5-13(26-2)6-4-11/h3-6,9H,7-8H2,1-2H3,(H,22,25)
InChIKeyLMFQYJIEKQKGBK-UHFFFAOYSA-N
XLogP3.64
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.34
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-3-methyl-4-(trifluoromethyl)-1,2-oxazole-5-carboxamide 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

N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 146127190
N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-2-methylpyrazole-3-carboxamide
CID 146122184
3-chloro-5-methoxy-N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]benzamide
CID 146122824
3-methoxy-N-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]benzamide
CID 146122399
N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 146125052
N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-methoxy-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 162564621
N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 146121971
2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethanamine;N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid
CID 159139917
1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-methoxyurea
CID 86816786
N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-3-methylpyridine-2-carboxamide
CID 68983390
4-fluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(trifluoromethyl)benzamide
CID 146121961
2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 38640468

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-3-methyl-4-(trifluoromethyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-3-methyl-4-(trifluoromethyl)-1,2-oxazole-5-carboxamide (CID 146152069) is N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-3-methyl-4-(trifluoromethyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-3-methyl-4-(trifluoromethyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-3-methyl-4-(trifluoromethyl)-1,2-oxazole-5-carboxamide is COc1ccc(-c2nc(CCNC(=O)c3onc(C)c3C(F)(F)F)co2)cc1.
What is the InChIKey of N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-3-methyl-4-(trifluoromethyl)-1,2-oxazole-5-carboxamide?
The InChIKey is LMFQYJIEKQKGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O4/c1-10-14(18(19,20)21)15(28-24-10)16(25)22-8-7-12-9-27-17(23-12)11-3-5-13(26-2)6-4-11/h3-6,9H,7-8H2,1-2H3,(H,22,25).
What are the key properties of N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-3-methyl-4-(trifluoromethyl)-1,2-oxazole-5-carboxamide?
N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-3-methyl-4-(trifluoromethyl)-1,2-oxazole-5-carboxamide has a molecular weight of 395.34 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-3-methyl-4-(trifluoromethyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 146152069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).