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

C17H11F3N4O — CID 58148115

IUPAC5-methyl-2-[3-[3-(trifluoromethyl)pyrazol-1-yl]-4-pyridinyl]-1,3-benzoxazole
SMILESCc1ccc2oc(-c3ccncc3-n3ccc(C(F)(F)F)n3)nc2c1
InChIInChI=1S/C17H11F3N4O/c1-10-2-3-14-12(8-10)22-16(25-14)11-4-6-21-9-13(11)24-7-5-15(23-24)17(18,19)20/h2-9H,1H3
InChIKeyQHGFOOCQTUYRED-UHFFFAOYSA-N
MW344.30 g/mol
LogP4.40
Rot. Bonds2

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

5-methyl-2-[3-[3-(trifluoromethyl)pyrazol-1-yl]-4-pyridinyl]-1,3-benzoxazole (PubChem CID 58148115) has the molecular formula C17H11F3N4O and a molecular weight of 344.30 g/mol. Its IUPAC name is 5-methyl-2-[3-[3-(trifluoromethyl)pyrazol-1-yl]-4-pyridinyl]-1,3-benzoxazole.

Molecular Properties

Compound Name5-methyl-2-[3-[3-(trifluoromethyl)pyrazol-1-yl]-4-pyridinyl]-1,3-benzoxazole
PubChem CID58148115
Molecular FormulaC17H11F3N4O
Molecular Weight344.30 g/mol
Exact Mass344.09
IUPAC Name5-methyl-2-[3-[3-(trifluoromethyl)pyrazol-1-yl]-4-pyridinyl]-1,3-benzoxazole
SMILESCc1ccc2oc(-c3ccncc3-n3ccc(C(F)(F)F)n3)nc2c1
InChIInChI=1S/C17H11F3N4O/c1-10-2-3-14-12(8-10)22-16(25-14)11-4-6-21-9-13(11)24-7-5-15(23-24)17(18,19)20/h2-9H,1H3
InChIKeyQHGFOOCQTUYRED-UHFFFAOYSA-N
XLogP4.40
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[3-[3-(trifluoromethyl)pyrazol-1-yl]-4-pyridinyl]-1,3-benzoxazole?
The IUPAC name of 5-methyl-2-[3-[3-(trifluoromethyl)pyrazol-1-yl]-4-pyridinyl]-1,3-benzoxazole (CID 58148115) is 5-methyl-2-[3-[3-(trifluoromethyl)pyrazol-1-yl]-4-pyridinyl]-1,3-benzoxazole.
What is the SMILES notation for 5-methyl-2-[3-[3-(trifluoromethyl)pyrazol-1-yl]-4-pyridinyl]-1,3-benzoxazole?
The canonical SMILES for 5-methyl-2-[3-[3-(trifluoromethyl)pyrazol-1-yl]-4-pyridinyl]-1,3-benzoxazole is Cc1ccc2oc(-c3ccncc3-n3ccc(C(F)(F)F)n3)nc2c1.
What is the InChIKey of 5-methyl-2-[3-[3-(trifluoromethyl)pyrazol-1-yl]-4-pyridinyl]-1,3-benzoxazole?
The InChIKey is QHGFOOCQTUYRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4O/c1-10-2-3-14-12(8-10)22-16(25-14)11-4-6-21-9-13(11)24-7-5-15(23-24)17(18,19)20/h2-9H,1H3.
What are the key properties of 5-methyl-2-[3-[3-(trifluoromethyl)pyrazol-1-yl]-4-pyridinyl]-1,3-benzoxazole?
5-methyl-2-[3-[3-(trifluoromethyl)pyrazol-1-yl]-4-pyridinyl]-1,3-benzoxazole has a molecular weight of 344.30 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[3-[3-(trifluoromethyl)pyrazol-1-yl]-4-pyridinyl]-1,3-benzoxazole is sourced from PubChem (CID 58148115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).