3,5-dimethyl-4-[[3-[3-(1,3-thiazol-2-yl)phenyl]pyrazol-1-yl]methyl]-1,2-oxazole

C18H16N4OS — CID 29210779

IUPAC3,5-dimethyl-4-[[3-[3-(1,3-thiazol-2-yl)phenyl]pyrazol-1-yl]methyl]-1,2-oxazole
SMILESCc1noc(C)c1Cn1ccc(-c2cccc(-c3nccs3)c2)n1
InChIInChI=1S/C18H16N4OS/c1-12-16(13(2)23-21-12)11-22-8-6-17(20-22)14-4-3-5-15(10-14)18-19-7-9-24-18/h3-10H,11H2,1-2H3
InChIKeyPGBLKSXIZRNMNA-UHFFFAOYSA-N
MW336.42 g/mol
LogP4.33
Rot. Bonds4

About 3,5-dimethyl-4-[[3-[3-(1,3-thiazol-2-yl)phenyl]pyrazol-1-yl]methyl]-1,2-oxazole

3,5-dimethyl-4-[[3-[3-(1,3-thiazol-2-yl)phenyl]pyrazol-1-yl]methyl]-1,2-oxazole (PubChem CID 29210779) has the molecular formula C18H16N4OS and a molecular weight of 336.42 g/mol. Its IUPAC name is 3,5-dimethyl-4-[[3-[3-(1,3-thiazol-2-yl)phenyl]pyrazol-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[[3-[3-(1,3-thiazol-2-yl)phenyl]pyrazol-1-yl]methyl]-1,2-oxazole
PubChem CID29210779
Molecular FormulaC18H16N4OS
Molecular Weight336.42 g/mol
Exact Mass336.10
IUPAC Name3,5-dimethyl-4-[[3-[3-(1,3-thiazol-2-yl)phenyl]pyrazol-1-yl]methyl]-1,2-oxazole
SMILESCc1noc(C)c1Cn1ccc(-c2cccc(-c3nccs3)c2)n1
InChIInChI=1S/C18H16N4OS/c1-12-16(13(2)23-21-12)11-22-8-6-17(20-22)14-4-3-5-15(10-14)18-19-7-9-24-18/h3-10H,11H2,1-2H3
InChIKeyPGBLKSXIZRNMNA-UHFFFAOYSA-N
XLogP4.33
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-benzylpyrazol-4-yl)-5-(1,3-thiazol-5-yl)-1,2-oxazole-3-carboxamide
CID 146220688
5-Methyl-3-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpyrazol-3-yl]-1,3-thiazol-2-yl]-1,2-oxazole
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3,5-Dimethyl-4-(1-{[1-phenyl-3-(thiophen-2-YL)-1H-pyrazol-4-YL]methyl}pyrrolidin-2-YL)-1,2-oxazole
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5-methyl-3-({3-[3-(2-thienyl)phenyl]-1H-pyrazol-1-yl}methyl)isoxazole
CID 28955368
5-methyl-3-({3-[3-(1,3-thiazol-2-yl)phenyl]-1H-pyrazol-1-yl}methyl)isoxazole
CID 29023135
3-(3-{1-[(3,5-dimethyl-4-isoxazolyl)methyl]-1H-pyrazol-3-yl}phenyl)-2,6-dimethylpyridine
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3-(2-Chloro-6-fluorophenyl)-5-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-4-(1,3-thiazol-2-yl)-1,2-oxazole
CID 60148850
3-(2-Chloro-6-fluorophenyl)-5-[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]-4-(1,3-thiazol-2-yl)-1,2-oxazole
CID 68405583
2-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide
CID 90184560
2-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]acetamide
CID 130370716
3-(2-Chloro-6-fluorophenyl)-5-[1-(2-ethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]-4-(1,3-thiazol-2-yl)-1,2-oxazole
CID 132064655
5-[5-Chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-4-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole
CID 139814350

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[[3-[3-(1,3-thiazol-2-yl)phenyl]pyrazol-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[[3-[3-(1,3-thiazol-2-yl)phenyl]pyrazol-1-yl]methyl]-1,2-oxazole (CID 29210779) is 3,5-dimethyl-4-[[3-[3-(1,3-thiazol-2-yl)phenyl]pyrazol-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[[3-[3-(1,3-thiazol-2-yl)phenyl]pyrazol-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[[3-[3-(1,3-thiazol-2-yl)phenyl]pyrazol-1-yl]methyl]-1,2-oxazole is Cc1noc(C)c1Cn1ccc(-c2cccc(-c3nccs3)c2)n1.
What is the InChIKey of 3,5-dimethyl-4-[[3-[3-(1,3-thiazol-2-yl)phenyl]pyrazol-1-yl]methyl]-1,2-oxazole?
The InChIKey is PGBLKSXIZRNMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4OS/c1-12-16(13(2)23-21-12)11-22-8-6-17(20-22)14-4-3-5-15(10-14)18-19-7-9-24-18/h3-10H,11H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-[[3-[3-(1,3-thiazol-2-yl)phenyl]pyrazol-1-yl]methyl]-1,2-oxazole?
3,5-dimethyl-4-[[3-[3-(1,3-thiazol-2-yl)phenyl]pyrazol-1-yl]methyl]-1,2-oxazole has a molecular weight of 336.42 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[[3-[3-(1,3-thiazol-2-yl)phenyl]pyrazol-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 29210779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).