5-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-morpholin-4-ylpyridine-2-carboxamide

C21H21FN4O5 — CID 46944266

IUPAC5-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-morpholin-4-ylpyridine-2-carboxamide
SMILESO=C(NN1CCOCC1)c1ccc(OCc2c(-c3ccc(F)cc3)noc2CO)cn1
InChIInChI=1S/C21H21FN4O5/c22-15-3-1-14(2-4-15)20-17(19(12-27)31-25-20)13-30-16-5-6-18(23-11-16)21(28)24-26-7-9-29-10-8-26/h1-6,11,27H,7-10,12-13H2,(H,24,28)
InChIKeyNVHSGLCPRINEQE-UHFFFAOYSA-N
MW428.42 g/mol
LogP1.92
Rot. Bonds7

About 5-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-morpholin-4-ylpyridine-2-carboxamide

5-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-morpholin-4-ylpyridine-2-carboxamide (PubChem CID 46944266) has the molecular formula C21H21FN4O5 and a molecular weight of 428.42 g/mol. Its IUPAC name is 5-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-morpholin-4-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-morpholin-4-ylpyridine-2-carboxamide
PubChem CID46944266
Molecular FormulaC21H21FN4O5
Molecular Weight428.42 g/mol
Exact Mass428.15
IUPAC Name5-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-morpholin-4-ylpyridine-2-carboxamide
SMILESO=C(NN1CCOCC1)c1ccc(OCc2c(-c3ccc(F)cc3)noc2CO)cn1
InChIInChI=1S/C21H21FN4O5/c22-15-3-1-14(2-4-15)20-17(19(12-27)31-25-20)13-30-16-5-6-18(23-11-16)21(28)24-26-7-9-29-10-8-26/h1-6,11,27H,7-10,12-13H2,(H,24,28)
InChIKeyNVHSGLCPRINEQE-UHFFFAOYSA-N
XLogP1.92
TPSA109.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.42
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-morpholin-4-ylpyridine-2-carboxamide with MolForge

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Related Compounds

6-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 46928572
CID 172815273
CID 172815273
5-carbamothioyl-N-morpholin-4-ylpyridine-2-carboxamide
CID 83016505
3-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-propyl-1,2-oxazole-5-carboxamide
CID 67492440
3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-morpholin-4-yl-1,2-oxazole-5-carboxamide
CID 46896985
6-[[3-(3,4-difluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylic acid
CID 66718168
methyl 5-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate
CID 66644374
6-[[3-(3,4-difluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 46928967
1-[(4-chlorophenoxy)methyl]-N-morpholin-4-ylpyrazole-3-carboxamide
CID 4774610
3-(4-fluorophenyl)-5-methyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-1,2-oxazole-4-carboxamide
CID 94026544
3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1-methyl-N-(3-methyloxetan-3-yl)pyrazole-5-carboxamide
CID 59568484
5-[2-(4-fluorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 109185666

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-morpholin-4-ylpyridine-2-carboxamide?
The IUPAC name of 5-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-morpholin-4-ylpyridine-2-carboxamide (CID 46944266) is 5-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-morpholin-4-ylpyridine-2-carboxamide.
What is the SMILES notation for 5-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-morpholin-4-ylpyridine-2-carboxamide?
The canonical SMILES for 5-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-morpholin-4-ylpyridine-2-carboxamide is O=C(NN1CCOCC1)c1ccc(OCc2c(-c3ccc(F)cc3)noc2CO)cn1.
What is the InChIKey of 5-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-morpholin-4-ylpyridine-2-carboxamide?
The InChIKey is NVHSGLCPRINEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O5/c22-15-3-1-14(2-4-15)20-17(19(12-27)31-25-20)13-30-16-5-6-18(23-11-16)21(28)24-26-7-9-29-10-8-26/h1-6,11,27H,7-10,12-13H2,(H,24,28).
What are the key properties of 5-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-morpholin-4-ylpyridine-2-carboxamide?
5-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-morpholin-4-ylpyridine-2-carboxamide has a molecular weight of 428.42 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-morpholin-4-ylpyridine-2-carboxamide is sourced from PubChem (CID 46944266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).