3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazole-5-carboxamide

C19H18F4N4O4 — CID 67276266

IUPAC3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazole-5-carboxamide
SMILESCc1onc(-c2ccc(F)cc2)c1COc1cc(C(=O)NC[C@@H](O)C(F)(F)F)n(C)n1
InChIInChI=1S/C19H18F4N4O4/c1-10-13(17(26-31-10)11-3-5-12(20)6-4-11)9-30-16-7-14(27(2)25-16)18(29)24-8-15(28)19(21,22)23/h3-7,15,28H,8-9H2,1-2H3,(H,24,29)/t15-/m1/s1
InChIKeyAIZPZNKYYVOAQH-OAHLLOKOSA-N
MW442.37 g/mol
LogP2.75
Rot. Bonds7

About 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazole-5-carboxamide

3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazole-5-carboxamide (PubChem CID 67276266) has the molecular formula C19H18F4N4O4 and a molecular weight of 442.37 g/mol. Its IUPAC name is 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazole-5-carboxamide
PubChem CID67276266
Molecular FormulaC19H18F4N4O4
Molecular Weight442.37 g/mol
Exact Mass442.13
IUPAC Name3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazole-5-carboxamide
SMILESCc1onc(-c2ccc(F)cc2)c1COc1cc(C(=O)NC[C@@H](O)C(F)(F)F)n(C)n1
InChIInChI=1S/C19H18F4N4O4/c1-10-13(17(26-31-10)11-3-5-12(20)6-4-11)9-30-16-7-14(27(2)25-16)18(29)24-8-15(28)19(21,22)23/h3-7,15,28H,8-9H2,1-2H3,(H,24,29)/t15-/m1/s1
InChIKeyAIZPZNKYYVOAQH-OAHLLOKOSA-N
XLogP2.75
TPSA102.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.37
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1-methyl-N-(3-methyloxetan-3-yl)pyrazole-5-carboxamide
CID 59568484
N-(3-hydroxy-2-methylpropyl)-1-methyl-3-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]pyrazole-5-carboxamide
CID 163476575
methyl 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1H-pyrazole-5-carboxylate
CID 66643834
1-methyl-3-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]pyrazole-5-carboxylic acid
CID 66643856
1-[6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3-pyridinyl]-3-methylbutan-1-one
CID 159461087
methyl 3-[[3-(4-chlorophenyl)-5-formyl-1,2-oxazol-4-yl]methoxy]-1-methylpyrazole-5-carboxylate
CID 86761556
3-(5-fluoro-2-pyridinyl)-5-methyl-4-[(1-methylpyrazol-3-yl)oxymethyl]-1,2-oxazole
CID 141279422
3-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-propyl-1,2-oxazole-5-carboxamide
CID 67492440
[2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(1-methylpyrrol-3-yl)methanone
CID 146469000
CID 172815273
CID 172815273
methyl 3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-1,2-oxazole-5-carboxylate
CID 67492296
6-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 46928572

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazole-5-carboxamide?
The IUPAC name of 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazole-5-carboxamide (CID 67276266) is 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazole-5-carboxamide is Cc1onc(-c2ccc(F)cc2)c1COc1cc(C(=O)NC[C@@H](O)C(F)(F)F)n(C)n1.
What is the InChIKey of 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazole-5-carboxamide?
The InChIKey is AIZPZNKYYVOAQH-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H18F4N4O4/c1-10-13(17(26-31-10)11-3-5-12(20)6-4-11)9-30-16-7-14(27(2)25-16)18(29)24-8-15(28)19(21,22)23/h3-7,15,28H,8-9H2,1-2H3,(H,24,29)/t15-/m1/s1.
What are the key properties of 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazole-5-carboxamide?
3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazole-5-carboxamide has a molecular weight of 442.37 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazole-5-carboxamide is sourced from PubChem (CID 67276266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).