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

C17H14N4OS — CID 29023135

IUPAC5-methyl-3-[[3-[3-(1,3-thiazol-2-yl)phenyl]pyrazol-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(Cn2ccc(-c3cccc(-c4nccs4)c3)n2)no1
InChIInChI=1S/C17H14N4OS/c1-12-9-15(20-22-12)11-21-7-5-16(19-21)13-3-2-4-14(10-13)17-18-6-8-23-17/h2-10H,11H2,1H3
InChIKeyVQDNKWGWZOXZDH-UHFFFAOYSA-N
MW322.39 g/mol
LogP4.02
Rot. Bonds4

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

5-methyl-3-[[3-[3-(1,3-thiazol-2-yl)phenyl]pyrazol-1-yl]methyl]-1,2-oxazole (PubChem CID 29023135) has the molecular formula C17H14N4OS and a molecular weight of 322.39 g/mol. Its IUPAC name is 5-methyl-3-[[3-[3-(1,3-thiazol-2-yl)phenyl]pyrazol-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[[3-[3-(1,3-thiazol-2-yl)phenyl]pyrazol-1-yl]methyl]-1,2-oxazole
PubChem CID29023135
Molecular FormulaC17H14N4OS
Molecular Weight322.39 g/mol
Exact Mass322.09
IUPAC Name5-methyl-3-[[3-[3-(1,3-thiazol-2-yl)phenyl]pyrazol-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(Cn2ccc(-c3cccc(-c4nccs4)c3)n2)no1
InChIInChI=1S/C17H14N4OS/c1-12-9-15(20-22-12)11-21-7-5-16(19-21)13-3-2-4-14(10-13)17-18-6-8-23-17/h2-10H,11H2,1H3
InChIKeyVQDNKWGWZOXZDH-UHFFFAOYSA-N
XLogP4.02
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[3-[3-(1,3-thiazol-2-yl)phenyl]pyrazol-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[[3-[3-(1,3-thiazol-2-yl)phenyl]pyrazol-1-yl]methyl]-1,2-oxazole (CID 29023135) is 5-methyl-3-[[3-[3-(1,3-thiazol-2-yl)phenyl]pyrazol-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[[3-[3-(1,3-thiazol-2-yl)phenyl]pyrazol-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[[3-[3-(1,3-thiazol-2-yl)phenyl]pyrazol-1-yl]methyl]-1,2-oxazole is Cc1cc(Cn2ccc(-c3cccc(-c4nccs4)c3)n2)no1.
What is the InChIKey of 5-methyl-3-[[3-[3-(1,3-thiazol-2-yl)phenyl]pyrazol-1-yl]methyl]-1,2-oxazole?
The InChIKey is VQDNKWGWZOXZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS/c1-12-9-15(20-22-12)11-21-7-5-16(19-21)13-3-2-4-14(10-13)17-18-6-8-23-17/h2-10H,11H2,1H3.
What are the key properties of 5-methyl-3-[[3-[3-(1,3-thiazol-2-yl)phenyl]pyrazol-1-yl]methyl]-1,2-oxazole?
5-methyl-3-[[3-[3-(1,3-thiazol-2-yl)phenyl]pyrazol-1-yl]methyl]-1,2-oxazole has a molecular weight of 322.39 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[3-[3-(1,3-thiazol-2-yl)phenyl]pyrazol-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 29023135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).