(4-pyrazol-1-ylphenyl)methyl 2-(oxan-4-yl)-1,3-thiazole-5-carboxylate

C19H19N3O3S — CID 167899744

IUPAC(4-pyrazol-1-ylphenyl)methyl 2-(oxan-4-yl)-1,3-thiazole-5-carboxylate
SMILESO=C(OCc1ccc(-n2cccn2)cc1)c1cnc(C2CCOCC2)s1
InChIInChI=1S/C19H19N3O3S/c23-19(17-12-20-18(26-17)15-6-10-24-11-7-15)25-13-14-2-4-16(5-3-14)22-9-1-8-21-22/h1-5,8-9,12,15H,6-7,10-11,13H2
InChIKeyQJSVGCHWRWNJKZ-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.58
Rot. Bonds5

About (4-pyrazol-1-ylphenyl)methyl 2-(oxan-4-yl)-1,3-thiazole-5-carboxylate

(4-pyrazol-1-ylphenyl)methyl 2-(oxan-4-yl)-1,3-thiazole-5-carboxylate (PubChem CID 167899744) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is (4-pyrazol-1-ylphenyl)methyl 2-(oxan-4-yl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name(4-pyrazol-1-ylphenyl)methyl 2-(oxan-4-yl)-1,3-thiazole-5-carboxylate
PubChem CID167899744
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name(4-pyrazol-1-ylphenyl)methyl 2-(oxan-4-yl)-1,3-thiazole-5-carboxylate
SMILESO=C(OCc1ccc(-n2cccn2)cc1)c1cnc(C2CCOCC2)s1
InChIInChI=1S/C19H19N3O3S/c23-19(17-12-20-18(26-17)15-6-10-24-11-7-15)25-13-14-2-4-16(5-3-14)22-9-1-8-21-22/h1-5,8-9,12,15H,6-7,10-11,13H2
InChIKeyQJSVGCHWRWNJKZ-UHFFFAOYSA-N
XLogP3.58
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (4-pyrazol-1-ylphenyl)methyl 2-(oxan-4-yl)-1,3-thiazole-5-carboxylate?
The IUPAC name of (4-pyrazol-1-ylphenyl)methyl 2-(oxan-4-yl)-1,3-thiazole-5-carboxylate (CID 167899744) is (4-pyrazol-1-ylphenyl)methyl 2-(oxan-4-yl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for (4-pyrazol-1-ylphenyl)methyl 2-(oxan-4-yl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for (4-pyrazol-1-ylphenyl)methyl 2-(oxan-4-yl)-1,3-thiazole-5-carboxylate is O=C(OCc1ccc(-n2cccn2)cc1)c1cnc(C2CCOCC2)s1.
What is the InChIKey of (4-pyrazol-1-ylphenyl)methyl 2-(oxan-4-yl)-1,3-thiazole-5-carboxylate?
The InChIKey is QJSVGCHWRWNJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c23-19(17-12-20-18(26-17)15-6-10-24-11-7-15)25-13-14-2-4-16(5-3-14)22-9-1-8-21-22/h1-5,8-9,12,15H,6-7,10-11,13H2.
What are the key properties of (4-pyrazol-1-ylphenyl)methyl 2-(oxan-4-yl)-1,3-thiazole-5-carboxylate?
(4-pyrazol-1-ylphenyl)methyl 2-(oxan-4-yl)-1,3-thiazole-5-carboxylate has a molecular weight of 369.45 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrazol-1-ylphenyl)methyl 2-(oxan-4-yl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 167899744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).