3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide

C15H19F3N4O3 — CID 59568483

IUPAC3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
SMILESCCCCc1noc(C)c1COc1cc(C(=O)NCC(F)(F)F)[nH]n1
InChIInChI=1S/C15H19F3N4O3/c1-3-4-5-11-10(9(2)25-22-11)7-24-13-6-12(20-21-13)14(23)19-8-15(16,17)18/h6H,3-5,7-8H2,1-2H3,(H,19,23)(H,20,21)
InChIKeyIFYNTVIDRLFFCQ-UHFFFAOYSA-N
MW360.34 g/mol
LogP2.92
Rot. Bonds8

About 3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide

3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide (PubChem CID 59568483) has the molecular formula C15H19F3N4O3 and a molecular weight of 360.34 g/mol. Its IUPAC name is 3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
PubChem CID59568483
Molecular FormulaC15H19F3N4O3
Molecular Weight360.34 g/mol
Exact Mass360.14
IUPAC Name3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
SMILESCCCCc1noc(C)c1COc1cc(C(=O)NCC(F)(F)F)[nH]n1
InChIInChI=1S/C15H19F3N4O3/c1-3-4-5-11-10(9(2)25-22-11)7-24-13-6-12(20-21-13)14(23)19-8-15(16,17)18/h6H,3-5,7-8H2,1-2H3,(H,19,23)(H,20,21)
InChIKeyIFYNTVIDRLFFCQ-UHFFFAOYSA-N
XLogP2.92
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-(1-hydroxypropan-2-yl)-1H-pyrazole-5-carboxamide
CID 59568392
3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-1H-pyrazole-5-carboxylic acid;oxolane
CID 158136847
3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-propyl-1,2-oxazole-5-carboxamide
CID 67492257
6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylic acid
CID 66598335
6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-propan-2-ylpyridazine-3-carboxamide
CID 66643929
methyl 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridazine-4-carboxylate
CID 66643769
(2-amino-2-oxoethyl) 3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-1-methylpyrazole-5-carboxylate
CID 66643741
6-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 42630130
methyl 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1H-pyrazole-5-carboxylate
CID 66643834
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)benzamide
CID 7535370
6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide
CID 59568543
[(2R)-1-amino-1-oxopropan-2-yl] 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridazine-3-carboxylate
CID 66643927

Frequently Asked Questions

What is the IUPAC name of 3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide (CID 59568483) is 3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide is CCCCc1noc(C)c1COc1cc(C(=O)NCC(F)(F)F)[nH]n1.
What is the InChIKey of 3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is IFYNTVIDRLFFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O3/c1-3-4-5-11-10(9(2)25-22-11)7-24-13-6-12(20-21-13)14(23)19-8-15(16,17)18/h6H,3-5,7-8H2,1-2H3,(H,19,23)(H,20,21).
What are the key properties of 3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 360.34 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 59568483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).