2-[2-methyl-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-oxazole

C20H15F3N4O3S — CID 10204132

IUPAC2-[2-methyl-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-oxazole
SMILESCc1cc(-c2cc(C(F)(F)F)nn2-c2ccc(S(C)(=O)=O)cn2)ccc1-c1ncco1
InChIInChI=1S/C20H15F3N4O3S/c1-12-9-13(3-5-15(12)19-24-7-8-30-19)16-10-17(20(21,22)23)26-27(16)18-6-4-14(11-25-18)31(2,28)29/h3-11H,1-2H3
InChIKeyQOTDDGQHTFDHDZ-UHFFFAOYSA-N
MW448.43 g/mol
LogP4.32
Rot. Bonds4

About 2-[2-methyl-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-oxazole

2-[2-methyl-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-oxazole (PubChem CID 10204132) has the molecular formula C20H15F3N4O3S and a molecular weight of 448.43 g/mol. Its IUPAC name is 2-[2-methyl-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[2-methyl-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-oxazole
PubChem CID10204132
Molecular FormulaC20H15F3N4O3S
Molecular Weight448.43 g/mol
Exact Mass448.08
IUPAC Name2-[2-methyl-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-oxazole
SMILESCc1cc(-c2cc(C(F)(F)F)nn2-c2ccc(S(C)(=O)=O)cn2)ccc1-c1ncco1
InChIInChI=1S/C20H15F3N4O3S/c1-12-9-13(3-5-15(12)19-24-7-8-30-19)16-10-17(20(21,22)23)26-27(16)18-6-4-14(11-25-18)31(2,28)29/h3-11H,1-2H3
InChIKeyQOTDDGQHTFDHDZ-UHFFFAOYSA-N
XLogP4.32
TPSA90.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.43
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-oxazole?
The IUPAC name of 2-[2-methyl-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-oxazole (CID 10204132) is 2-[2-methyl-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-oxazole.
What is the SMILES notation for 2-[2-methyl-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-oxazole?
The canonical SMILES for 2-[2-methyl-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-oxazole is Cc1cc(-c2cc(C(F)(F)F)nn2-c2ccc(S(C)(=O)=O)cn2)ccc1-c1ncco1.
What is the InChIKey of 2-[2-methyl-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-oxazole?
The InChIKey is QOTDDGQHTFDHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O3S/c1-12-9-13(3-5-15(12)19-24-7-8-30-19)16-10-17(20(21,22)23)26-27(16)18-6-4-14(11-25-18)31(2,28)29/h3-11H,1-2H3.
What are the key properties of 2-[2-methyl-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-oxazole?
2-[2-methyl-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-oxazole has a molecular weight of 448.43 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-oxazole is sourced from PubChem (CID 10204132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).