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

C16H24N4O4 — CID 59568392

IUPAC3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-(1-hydroxypropan-2-yl)-1H-pyrazole-5-carboxamide
SMILESCCCCc1noc(C)c1COc1cc(C(=O)NC(C)CO)[nH]n1
InChIInChI=1S/C16H24N4O4/c1-4-5-6-13-12(11(3)24-20-13)9-23-15-7-14(18-19-15)16(22)17-10(2)8-21/h7,10,21H,4-6,8-9H2,1-3H3,(H,17,22)(H,18,19)
InChIKeyHHAXZTWMONVLHG-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.74
Rot. Bonds9

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

3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-(1-hydroxypropan-2-yl)-1H-pyrazole-5-carboxamide (PubChem CID 59568392) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is 3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-(1-hydroxypropan-2-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-(1-hydroxypropan-2-yl)-1H-pyrazole-5-carboxamide
PubChem CID59568392
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Name3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-(1-hydroxypropan-2-yl)-1H-pyrazole-5-carboxamide
SMILESCCCCc1noc(C)c1COc1cc(C(=O)NC(C)CO)[nH]n1
InChIInChI=1S/C16H24N4O4/c1-4-5-6-13-12(11(3)24-20-13)9-23-15-7-14(18-19-15)16(22)17-10(2)8-21/h7,10,21H,4-6,8-9H2,1-3H3,(H,17,22)(H,18,19)
InChIKeyHHAXZTWMONVLHG-UHFFFAOYSA-N
XLogP1.74
TPSA113.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
CID 59568483
3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-1H-pyrazole-5-carboxylic acid;oxolane
CID 158136847
6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-propan-2-ylpyridazine-3-carboxamide
CID 66643929
3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-propyl-1,2-oxazole-5-carboxamide
CID 67492257
methyl 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridazine-4-carboxylate
CID 66643769
[(2R)-1-amino-1-oxopropan-2-yl] 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridazine-3-carboxylate
CID 66643927
6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylic acid
CID 66598335
6-[(E)-2-(3-butyl-5-methyl-1,2-oxazol-4-yl)ethenyl]-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide
CID 46872520
(2-amino-2-oxoethyl) 3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-1-methylpyrazole-5-carboxylate
CID 66643741
6-[(3-butyl-1,2-oxazol-4-yl)methoxy]-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide
CID 75282014
methyl 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1H-pyrazole-5-carboxylate
CID 66643834
6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide
CID 59568543

Frequently Asked Questions

What is the IUPAC name of 3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-(1-hydroxypropan-2-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-(1-hydroxypropan-2-yl)-1H-pyrazole-5-carboxamide (CID 59568392) is 3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-(1-hydroxypropan-2-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-(1-hydroxypropan-2-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-(1-hydroxypropan-2-yl)-1H-pyrazole-5-carboxamide is CCCCc1noc(C)c1COc1cc(C(=O)NC(C)CO)[nH]n1.
What is the InChIKey of 3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-(1-hydroxypropan-2-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is HHAXZTWMONVLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4/c1-4-5-6-13-12(11(3)24-20-13)9-23-15-7-14(18-19-15)16(22)17-10(2)8-21/h7,10,21H,4-6,8-9H2,1-3H3,(H,17,22)(H,18,19).
What are the key properties of 3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-(1-hydroxypropan-2-yl)-1H-pyrazole-5-carboxamide?
3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-(1-hydroxypropan-2-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 1.74, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-(1-hydroxypropan-2-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 59568392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).