4-methyl-2-pyridin-4-yl-5-(trifluoromethyl)-1,3-benzoxazole

C14H9F3N2O — CID 163494197

IUPAC4-methyl-2-pyridin-4-yl-5-(trifluoromethyl)-1,3-benzoxazole
SMILESCc1c(C(F)(F)F)ccc2oc(-c3ccncc3)nc12
InChIInChI=1S/C14H9F3N2O/c1-8-10(14(15,16)17)2-3-11-12(8)19-13(20-11)9-4-6-18-7-5-9/h2-7H,1H3
InChIKeyCPGSSKLSFSZYCA-UHFFFAOYSA-N
MW278.23 g/mol
LogP4.22
Rot. Bonds1

About 4-methyl-2-pyridin-4-yl-5-(trifluoromethyl)-1,3-benzoxazole

4-methyl-2-pyridin-4-yl-5-(trifluoromethyl)-1,3-benzoxazole (PubChem CID 163494197) has the molecular formula C14H9F3N2O and a molecular weight of 278.23 g/mol. Its IUPAC name is 4-methyl-2-pyridin-4-yl-5-(trifluoromethyl)-1,3-benzoxazole.

Molecular Properties

Compound Name4-methyl-2-pyridin-4-yl-5-(trifluoromethyl)-1,3-benzoxazole
PubChem CID163494197
Molecular FormulaC14H9F3N2O
Molecular Weight278.23 g/mol
Exact Mass278.07
IUPAC Name4-methyl-2-pyridin-4-yl-5-(trifluoromethyl)-1,3-benzoxazole
SMILESCc1c(C(F)(F)F)ccc2oc(-c3ccncc3)nc12
InChIInChI=1S/C14H9F3N2O/c1-8-10(14(15,16)17)2-3-11-12(8)19-13(20-11)9-4-6-18-7-5-9/h2-7H,1H3
InChIKeyCPGSSKLSFSZYCA-UHFFFAOYSA-N
XLogP4.22
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pyridin-4-yl-5-(trifluoromethyl)-1,3-benzoxazole?
The IUPAC name of 4-methyl-2-pyridin-4-yl-5-(trifluoromethyl)-1,3-benzoxazole (CID 163494197) is 4-methyl-2-pyridin-4-yl-5-(trifluoromethyl)-1,3-benzoxazole.
What is the SMILES notation for 4-methyl-2-pyridin-4-yl-5-(trifluoromethyl)-1,3-benzoxazole?
The canonical SMILES for 4-methyl-2-pyridin-4-yl-5-(trifluoromethyl)-1,3-benzoxazole is Cc1c(C(F)(F)F)ccc2oc(-c3ccncc3)nc12.
What is the InChIKey of 4-methyl-2-pyridin-4-yl-5-(trifluoromethyl)-1,3-benzoxazole?
The InChIKey is CPGSSKLSFSZYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O/c1-8-10(14(15,16)17)2-3-11-12(8)19-13(20-11)9-4-6-18-7-5-9/h2-7H,1H3.
What are the key properties of 4-methyl-2-pyridin-4-yl-5-(trifluoromethyl)-1,3-benzoxazole?
4-methyl-2-pyridin-4-yl-5-(trifluoromethyl)-1,3-benzoxazole has a molecular weight of 278.23 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pyridin-4-yl-5-(trifluoromethyl)-1,3-benzoxazole is sourced from PubChem (CID 163494197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).