2-cyclobutyl-4-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-1,3-oxazole

C15H16N4OS — CID 167915344

IUPAC2-cyclobutyl-4-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-1,3-oxazole
SMILESCc1nn(C)cc1-c1csc(-c2coc(C3CCC3)n2)n1
InChIInChI=1S/C15H16N4OS/c1-9-11(6-19(2)18-9)13-8-21-15(17-13)12-7-20-14(16-12)10-4-3-5-10/h6-8,10H,3-5H2,1-2H3
InChIKeyMFTHCBIEWVILAE-UHFFFAOYSA-N
MW300.39 g/mol
LogP3.77
Rot. Bonds3

About 2-cyclobutyl-4-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-1,3-oxazole

2-cyclobutyl-4-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-1,3-oxazole (PubChem CID 167915344) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 2-cyclobutyl-4-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-cyclobutyl-4-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-1,3-oxazole
PubChem CID167915344
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name2-cyclobutyl-4-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-1,3-oxazole
SMILESCc1nn(C)cc1-c1csc(-c2coc(C3CCC3)n2)n1
InChIInChI=1S/C15H16N4OS/c1-9-11(6-19(2)18-9)13-8-21-15(17-13)12-7-20-14(16-12)10-4-3-5-10/h6-8,10H,3-5H2,1-2H3
InChIKeyMFTHCBIEWVILAE-UHFFFAOYSA-N
XLogP3.77
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-4-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-1,3-oxazole?
The IUPAC name of 2-cyclobutyl-4-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-1,3-oxazole (CID 167915344) is 2-cyclobutyl-4-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-1,3-oxazole.
What is the SMILES notation for 2-cyclobutyl-4-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-1,3-oxazole?
The canonical SMILES for 2-cyclobutyl-4-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-1,3-oxazole is Cc1nn(C)cc1-c1csc(-c2coc(C3CCC3)n2)n1.
What is the InChIKey of 2-cyclobutyl-4-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-1,3-oxazole?
The InChIKey is MFTHCBIEWVILAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-9-11(6-19(2)18-9)13-8-21-15(17-13)12-7-20-14(16-12)10-4-3-5-10/h6-8,10H,3-5H2,1-2H3.
What are the key properties of 2-cyclobutyl-4-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-1,3-oxazole?
2-cyclobutyl-4-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-1,3-oxazole has a molecular weight of 300.39 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-4-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-1,3-oxazole is sourced from PubChem (CID 167915344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).