6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-4-(trifluoromethyl)pyridine-3-carboxylic acid;2,2,2-trifluoroethanamine

C20H17F6N3O4 — CID 158854945

IUPAC6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-4-(trifluoromethyl)pyridine-3-carboxylic acid;2,2,2-trifluoroethanamine
SMILESCc1onc(-c2ccccc2)c1COc1cc(C(F)(F)F)c(C(=O)O)cn1.NCC(F)(F)F
InChIInChI=1S/C18H13F3N2O4.C2H4F3N/c1-10-13(16(23-27-10)11-5-3-2-4-6-11)9-26-15-7-14(18(19,20)21)12(8-22-15)17(24)25;3-2(4,5)1-6/h2-8H,9H2,1H3,(H,24,25);1,6H2
InChIKeyIZXVEBGJXOSIAW-UHFFFAOYSA-N
MW477.36 g/mol
LogP4.85
Rot. Bonds5

About 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-4-(trifluoromethyl)pyridine-3-carboxylic acid;2,2,2-trifluoroethanamine

6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-4-(trifluoromethyl)pyridine-3-carboxylic acid;2,2,2-trifluoroethanamine (PubChem CID 158854945) has the molecular formula C20H17F6N3O4 and a molecular weight of 477.36 g/mol. Its IUPAC name is 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-4-(trifluoromethyl)pyridine-3-carboxylic acid;2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-4-(trifluoromethyl)pyridine-3-carboxylic acid;2,2,2-trifluoroethanamine
PubChem CID158854945
Molecular FormulaC20H17F6N3O4
Molecular Weight477.36 g/mol
Exact Mass477.11
IUPAC Name6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-4-(trifluoromethyl)pyridine-3-carboxylic acid;2,2,2-trifluoroethanamine
SMILESCc1onc(-c2ccccc2)c1COc1cc(C(F)(F)F)c(C(=O)O)cn1.NCC(F)(F)F
InChIInChI=1S/C18H13F3N2O4.C2H4F3N/c1-10-13(16(23-27-10)11-5-3-2-4-6-11)9-26-15-7-14(18(19,20)21)12(8-22-15)17(24)25;3-2(4,5)1-6/h2-8H,9H2,1H3,(H,24,25);1,6H2
InChIKeyIZXVEBGJXOSIAW-UHFFFAOYSA-N
XLogP4.85
TPSA111.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.36
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-4-(trifluoromethyl)pyridine-3-carboxylic acid;2,2,2-trifluoroethanamine with MolForge

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Launch Full Analysis

Related Compounds

N-(2-fluoroethyl)-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-phenylpyridine-3-carboxamide
CID 87459442
methyl 3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-1,2-oxazole-5-carboxylate
CID 67492296
ethyl 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridazine-3-carboxylate
CID 42630254
methyl 2-[[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridazin-3-yl]amino]-2-oxoacetate
CID 42630377
6-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylic acid
CID 42630170
N-(3-hydroxybutyl)-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide
CID 42629807
3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-morpholin-4-yl-1,2-oxazole-5-carboxamide
CID 46896985
4-[(6-bromopyridazin-3-yl)oxymethyl]-5-methyl-3-phenyl-1,2-oxazole
CID 42629653
N-ethyl-6-[[3-phenyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide
CID 68938732
5-methyl-3-(6-methyl-3-pyridinyl)-4-(5,6,7,8-tetrahydro-2,7-naphthyridin-3-yloxymethyl)-1,2-oxazole;2,2,2-trifluoroacetic acid
CID 175592462
6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 67157780
propan-2-yl 2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylate
CID 154266442

Frequently Asked Questions

What is the IUPAC name of 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-4-(trifluoromethyl)pyridine-3-carboxylic acid;2,2,2-trifluoroethanamine?
The IUPAC name of 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-4-(trifluoromethyl)pyridine-3-carboxylic acid;2,2,2-trifluoroethanamine (CID 158854945) is 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-4-(trifluoromethyl)pyridine-3-carboxylic acid;2,2,2-trifluoroethanamine.
What is the SMILES notation for 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-4-(trifluoromethyl)pyridine-3-carboxylic acid;2,2,2-trifluoroethanamine?
The canonical SMILES for 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-4-(trifluoromethyl)pyridine-3-carboxylic acid;2,2,2-trifluoroethanamine is Cc1onc(-c2ccccc2)c1COc1cc(C(F)(F)F)c(C(=O)O)cn1.NCC(F)(F)F.
What is the InChIKey of 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-4-(trifluoromethyl)pyridine-3-carboxylic acid;2,2,2-trifluoroethanamine?
The InChIKey is IZXVEBGJXOSIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O4.C2H4F3N/c1-10-13(16(23-27-10)11-5-3-2-4-6-11)9-26-15-7-14(18(19,20)21)12(8-22-15)17(24)25;3-2(4,5)1-6/h2-8H,9H2,1H3,(H,24,25);1,6H2.
What are the key properties of 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-4-(trifluoromethyl)pyridine-3-carboxylic acid;2,2,2-trifluoroethanamine?
6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-4-(trifluoromethyl)pyridine-3-carboxylic acid;2,2,2-trifluoroethanamine has a molecular weight of 477.36 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-4-(trifluoromethyl)pyridine-3-carboxylic acid;2,2,2-trifluoroethanamine is sourced from PubChem (CID 158854945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).