3-(1,5-dimethylpyrazol-4-yl)-5-[(3-fluoro-4-methylphenoxy)methyl]-1,2-oxazole

C16H16FN3O2 — CID 99839244

IUPAC3-(1,5-dimethylpyrazol-4-yl)-5-[(3-fluoro-4-methylphenoxy)methyl]-1,2-oxazole
SMILESCc1ccc(OCc2cc(-c3cnn(C)c3C)no2)cc1F
InChIInChI=1S/C16H16FN3O2/c1-10-4-5-12(6-15(10)17)21-9-13-7-16(19-22-13)14-8-18-20(3)11(14)2/h4-8H,9H2,1-3H3
InChIKeyDBEVNKPKNFIAAP-UHFFFAOYSA-N
MW301.32 g/mol
LogP3.41
Rot. Bonds4

About 3-(1,5-dimethylpyrazol-4-yl)-5-[(3-fluoro-4-methylphenoxy)methyl]-1,2-oxazole

3-(1,5-dimethylpyrazol-4-yl)-5-[(3-fluoro-4-methylphenoxy)methyl]-1,2-oxazole (PubChem CID 99839244) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is 3-(1,5-dimethylpyrazol-4-yl)-5-[(3-fluoro-4-methylphenoxy)methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-(1,5-dimethylpyrazol-4-yl)-5-[(3-fluoro-4-methylphenoxy)methyl]-1,2-oxazole
PubChem CID99839244
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC Name3-(1,5-dimethylpyrazol-4-yl)-5-[(3-fluoro-4-methylphenoxy)methyl]-1,2-oxazole
SMILESCc1ccc(OCc2cc(-c3cnn(C)c3C)no2)cc1F
InChIInChI=1S/C16H16FN3O2/c1-10-4-5-12(6-15(10)17)21-9-13-7-16(19-22-13)14-8-18-20(3)11(14)2/h4-8H,9H2,1-3H3
InChIKeyDBEVNKPKNFIAAP-UHFFFAOYSA-N
XLogP3.41
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2,4-difluorophenoxy)methyl]-N-ethyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]isoxazole-3-carboxamide
CID 16190361
(1-isoxazol-3-ylethyl)methyl{[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl}amine
CID 16190753
N-methyl-1-(3-methylisoxazol-5-yl)-N-{[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl}methanamine
CID 16190760
5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]isoxazole-3-carboxamide
CID 16192487
5-[(2,5-dimethylphenoxy)methyl]-N-ethyl-N-(2-pyrazol-1-ylethyl)isoxazole-3-carboxamide
CID 24790244
5-[(3-acetylphenoxy)methyl]-N-methyl-N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-3-isoxazolecarboxamide
CID 24819379
5-[(2,4-difluorophenoxy)methyl]-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-3-isoxazolecarboxamide
CID 16192247
5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 42415793
3-Phenyl-5-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]-1,2-oxazole
CID 155522237
(isoxazol-3-ylmethyl)methyl{[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl}amine
CID 16190674
N-{[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1H-pyrazol-4-yl]methyl}-1-(3-isoxazolyl)-N-methylethanamine
CID 16190870
Diethyl 3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,2-oxazole-4,5-dicarboxylate
CID 45268756

Frequently Asked Questions

What is the IUPAC name of 3-(1,5-dimethylpyrazol-4-yl)-5-[(3-fluoro-4-methylphenoxy)methyl]-1,2-oxazole?
The IUPAC name of 3-(1,5-dimethylpyrazol-4-yl)-5-[(3-fluoro-4-methylphenoxy)methyl]-1,2-oxazole (CID 99839244) is 3-(1,5-dimethylpyrazol-4-yl)-5-[(3-fluoro-4-methylphenoxy)methyl]-1,2-oxazole.
What is the SMILES notation for 3-(1,5-dimethylpyrazol-4-yl)-5-[(3-fluoro-4-methylphenoxy)methyl]-1,2-oxazole?
The canonical SMILES for 3-(1,5-dimethylpyrazol-4-yl)-5-[(3-fluoro-4-methylphenoxy)methyl]-1,2-oxazole is Cc1ccc(OCc2cc(-c3cnn(C)c3C)no2)cc1F.
What is the InChIKey of 3-(1,5-dimethylpyrazol-4-yl)-5-[(3-fluoro-4-methylphenoxy)methyl]-1,2-oxazole?
The InChIKey is DBEVNKPKNFIAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c1-10-4-5-12(6-15(10)17)21-9-13-7-16(19-22-13)14-8-18-20(3)11(14)2/h4-8H,9H2,1-3H3.
What are the key properties of 3-(1,5-dimethylpyrazol-4-yl)-5-[(3-fluoro-4-methylphenoxy)methyl]-1,2-oxazole?
3-(1,5-dimethylpyrazol-4-yl)-5-[(3-fluoro-4-methylphenoxy)methyl]-1,2-oxazole has a molecular weight of 301.32 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-dimethylpyrazol-4-yl)-5-[(3-fluoro-4-methylphenoxy)methyl]-1,2-oxazole is sourced from PubChem (CID 99839244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).