(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 6-pyrazol-1-ylpyridine-3-carboxylate

C17H12N4O3S — CID 18166865

IUPAC(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 6-pyrazol-1-ylpyridine-3-carboxylate
SMILESO=C(OCc1coc(-c2cccs2)n1)c1ccc(-n2cccn2)nc1
InChIInChI=1S/C17H12N4O3S/c22-17(12-4-5-15(18-9-12)21-7-2-6-19-21)24-11-13-10-23-16(20-13)14-3-1-8-25-14/h1-10H,11H2
InChIKeyADEWUSPFGSCFSB-UHFFFAOYSA-N
MW352.38 g/mol
LogP3.34
Rot. Bonds5

About (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 6-pyrazol-1-ylpyridine-3-carboxylate

(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 6-pyrazol-1-ylpyridine-3-carboxylate (PubChem CID 18166865) has the molecular formula C17H12N4O3S and a molecular weight of 352.38 g/mol. Its IUPAC name is (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 6-pyrazol-1-ylpyridine-3-carboxylate.

Molecular Properties

Compound Name(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 6-pyrazol-1-ylpyridine-3-carboxylate
PubChem CID18166865
Molecular FormulaC17H12N4O3S
Molecular Weight352.38 g/mol
Exact Mass352.06
IUPAC Name(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 6-pyrazol-1-ylpyridine-3-carboxylate
SMILESO=C(OCc1coc(-c2cccs2)n1)c1ccc(-n2cccn2)nc1
InChIInChI=1S/C17H12N4O3S/c22-17(12-4-5-15(18-9-12)21-7-2-6-19-21)24-11-13-10-23-16(20-13)14-3-1-8-25-14/h1-10H,11H2
InChIKeyADEWUSPFGSCFSB-UHFFFAOYSA-N
XLogP3.34
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-formylbenzoate
CID 7669328
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl thiophene-2-carboxylate
CID 8631208
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate
CID 7720920
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 5-chlorothiophene-2-carboxylate
CID 7146562
[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 6-pyrazol-1-ylpyridine-3-carboxylate
CID 55522584
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 18101205
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-chloro-4,5-dimethoxybenzoate
CID 7681088
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1-ethylbenzotriazole-5-carboxylate
CID 7805849
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 7888360
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-bromo-1H-pyrrole-2-carboxylate
CID 9292901
(3,5-dimethylphenyl)methyl 6-pyrazol-1-ylpyridine-3-carboxylate
CID 18166859
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1H-indazole-3-carboxylate
CID 7372530

Frequently Asked Questions

What is the IUPAC name of (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 6-pyrazol-1-ylpyridine-3-carboxylate?
The IUPAC name of (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 6-pyrazol-1-ylpyridine-3-carboxylate (CID 18166865) is (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 6-pyrazol-1-ylpyridine-3-carboxylate.
What is the SMILES notation for (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 6-pyrazol-1-ylpyridine-3-carboxylate?
The canonical SMILES for (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 6-pyrazol-1-ylpyridine-3-carboxylate is O=C(OCc1coc(-c2cccs2)n1)c1ccc(-n2cccn2)nc1.
What is the InChIKey of (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 6-pyrazol-1-ylpyridine-3-carboxylate?
The InChIKey is ADEWUSPFGSCFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O3S/c22-17(12-4-5-15(18-9-12)21-7-2-6-19-21)24-11-13-10-23-16(20-13)14-3-1-8-25-14/h1-10H,11H2.
What are the key properties of (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 6-pyrazol-1-ylpyridine-3-carboxylate?
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 6-pyrazol-1-ylpyridine-3-carboxylate has a molecular weight of 352.38 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 6-pyrazol-1-ylpyridine-3-carboxylate is sourced from PubChem (CID 18166865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).