(3,5-dimethyl-1,2-oxazol-4-yl)-(8-fluoro-4H-thiochromeno[4,3-c]pyrazol-2-yl)methanone

C16H12FN3O2S — CID 2741266

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-(8-fluoro-4H-thiochromeno[4,3-c]pyrazol-2-yl)methanone
SMILESCc1noc(C)c1C(=O)n1cc2c(n1)-c1cc(F)ccc1SC2
InChIInChI=1S/C16H12FN3O2S/c1-8-14(9(2)22-19-8)16(21)20-6-10-7-23-13-4-3-11(17)5-12(13)15(10)18-20/h3-6H,7H2,1-2H3
InChIKeyATPDXMXTVGJNBP-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.59
Rot. Bonds1

About (3,5-dimethyl-1,2-oxazol-4-yl)-(8-fluoro-4H-thiochromeno[4,3-c]pyrazol-2-yl)methanone

(3,5-dimethyl-1,2-oxazol-4-yl)-(8-fluoro-4H-thiochromeno[4,3-c]pyrazol-2-yl)methanone (PubChem CID 2741266) has the molecular formula C16H12FN3O2S and a molecular weight of 329.36 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-(8-fluoro-4H-thiochromeno[4,3-c]pyrazol-2-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-(8-fluoro-4H-thiochromeno[4,3-c]pyrazol-2-yl)methanone
PubChem CID2741266
Molecular FormulaC16H12FN3O2S
Molecular Weight329.36 g/mol
Exact Mass329.06
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-(8-fluoro-4H-thiochromeno[4,3-c]pyrazol-2-yl)methanone
SMILESCc1noc(C)c1C(=O)n1cc2c(n1)-c1cc(F)ccc1SC2
InChIInChI=1S/C16H12FN3O2S/c1-8-14(9(2)22-19-8)16(21)20-6-10-7-23-13-4-3-11(17)5-12(13)15(10)18-20/h3-6H,7H2,1-2H3
InChIKeyATPDXMXTVGJNBP-UHFFFAOYSA-N
XLogP3.59
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-(8-fluoro-4H-thiochromeno[4,3-c]pyrazol-2-yl)methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-(8-fluoro-4H-thiochromeno[4,3-c]pyrazol-2-yl)methanone (CID 2741266) is (3,5-dimethyl-1,2-oxazol-4-yl)-(8-fluoro-4H-thiochromeno[4,3-c]pyrazol-2-yl)methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-(8-fluoro-4H-thiochromeno[4,3-c]pyrazol-2-yl)methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-(8-fluoro-4H-thiochromeno[4,3-c]pyrazol-2-yl)methanone is Cc1noc(C)c1C(=O)n1cc2c(n1)-c1cc(F)ccc1SC2.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-(8-fluoro-4H-thiochromeno[4,3-c]pyrazol-2-yl)methanone?
The InChIKey is ATPDXMXTVGJNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O2S/c1-8-14(9(2)22-19-8)16(21)20-6-10-7-23-13-4-3-11(17)5-12(13)15(10)18-20/h3-6H,7H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-(8-fluoro-4H-thiochromeno[4,3-c]pyrazol-2-yl)methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-(8-fluoro-4H-thiochromeno[4,3-c]pyrazol-2-yl)methanone has a molecular weight of 329.36 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-(8-fluoro-4H-thiochromeno[4,3-c]pyrazol-2-yl)methanone is sourced from PubChem (CID 2741266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).