2-(3-methoxy-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole

C14H9F3N2O2 — CID 52919792

IUPAC2-(3-methoxy-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole
SMILESCOc1cnccc1-c1nc2cc(C(F)(F)F)ccc2o1
InChIInChI=1S/C14H9F3N2O2/c1-20-12-7-18-5-4-9(12)13-19-10-6-8(14(15,16)17)2-3-11(10)21-13/h2-7H,1H3
InChIKeyKUTXDAVMHAHWKJ-UHFFFAOYSA-N
MW294.23 g/mol
LogP3.92
Rot. Bonds2

About 2-(3-methoxy-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole

2-(3-methoxy-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole (PubChem CID 52919792) has the molecular formula C14H9F3N2O2 and a molecular weight of 294.23 g/mol. Its IUPAC name is 2-(3-methoxy-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(3-methoxy-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole
PubChem CID52919792
Molecular FormulaC14H9F3N2O2
Molecular Weight294.23 g/mol
Exact Mass294.06
IUPAC Name2-(3-methoxy-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole
SMILESCOc1cnccc1-c1nc2cc(C(F)(F)F)ccc2o1
InChIInChI=1S/C14H9F3N2O2/c1-20-12-7-18-5-4-9(12)13-19-10-6-8(14(15,16)17)2-3-11(10)21-13/h2-7H,1H3
InChIKeyKUTXDAVMHAHWKJ-UHFFFAOYSA-N
XLogP3.92
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole?
The IUPAC name of 2-(3-methoxy-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole (CID 52919792) is 2-(3-methoxy-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(3-methoxy-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole?
The canonical SMILES for 2-(3-methoxy-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole is COc1cnccc1-c1nc2cc(C(F)(F)F)ccc2o1.
What is the InChIKey of 2-(3-methoxy-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole?
The InChIKey is KUTXDAVMHAHWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O2/c1-20-12-7-18-5-4-9(12)13-19-10-6-8(14(15,16)17)2-3-11(10)21-13/h2-7H,1H3.
What are the key properties of 2-(3-methoxy-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole?
2-(3-methoxy-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole has a molecular weight of 294.23 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole is sourced from PubChem (CID 52919792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).