6-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-1,3-benzoxazole-2-carboxamide

C15H10F3N3O4 — CID 177252901

IUPAC6-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-1,3-benzoxazole-2-carboxamide
SMILESNC(=O)c1nc2ccc(Oc3ncccc3OCC(F)(F)F)cc2o1
InChIInChI=1S/C15H10F3N3O4/c16-15(17,18)7-23-10-2-1-5-20-13(10)24-8-3-4-9-11(6-8)25-14(21-9)12(19)22/h1-6H,7H2,(H2,19,22)
InChIKeyXESVDMBEVVYDHH-UHFFFAOYSA-N
MW353.26 g/mol
LogP3.06
Rot. Bonds5

About 6-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-1,3-benzoxazole-2-carboxamide

6-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-1,3-benzoxazole-2-carboxamide (PubChem CID 177252901) has the molecular formula C15H10F3N3O4 and a molecular weight of 353.26 g/mol. Its IUPAC name is 6-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-1,3-benzoxazole-2-carboxamide.

Molecular Properties

Compound Name6-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-1,3-benzoxazole-2-carboxamide
PubChem CID177252901
Molecular FormulaC15H10F3N3O4
Molecular Weight353.26 g/mol
Exact Mass353.06
IUPAC Name6-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-1,3-benzoxazole-2-carboxamide
SMILESNC(=O)c1nc2ccc(Oc3ncccc3OCC(F)(F)F)cc2o1
InChIInChI=1S/C15H10F3N3O4/c16-15(17,18)7-23-10-2-1-5-20-13(10)24-8-3-4-9-11(6-8)25-14(21-9)12(19)22/h1-6H,7H2,(H2,19,22)
InChIKeyXESVDMBEVVYDHH-UHFFFAOYSA-N
XLogP3.06
TPSA100.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
CID 177252850
methyl 3-fluoro-5-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate
CID 176912949
2-chloro-6-(2,2,2-trifluoroethoxy)-1,3-benzoxazole
CID 155083784
2-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 175967809
lithium 3-prop-1-en-2-yl-5-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate
CID 176912924
2-(2,2,2-trifluoroethoxy)benzamide;hydrochloride
CID 160645363
2-[4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide
CID 69477182
1-(2,2,2-trifluoroethoxy)pyrrolo[2,3-b]pyridine-2-carboxamide
CID 152717416
6-[3-(2,2,2-trifluoroethoxy)pyrazin-2-yl]oxyimidazo[1,2-a]pyridine-2-carboxamide
CID 177252875
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 55763297
2-(1,3-benzoxazol-6-yloxy)pyridine-3-carboxylic acid
CID 22612359
8-(2,2,2-trifluoroethoxy)quinoline
CID 70258854

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-1,3-benzoxazole-2-carboxamide?
The IUPAC name of 6-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-1,3-benzoxazole-2-carboxamide (CID 177252901) is 6-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-1,3-benzoxazole-2-carboxamide.
What is the SMILES notation for 6-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-1,3-benzoxazole-2-carboxamide?
The canonical SMILES for 6-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-1,3-benzoxazole-2-carboxamide is NC(=O)c1nc2ccc(Oc3ncccc3OCC(F)(F)F)cc2o1.
What is the InChIKey of 6-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-1,3-benzoxazole-2-carboxamide?
The InChIKey is XESVDMBEVVYDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O4/c16-15(17,18)7-23-10-2-1-5-20-13(10)24-8-3-4-9-11(6-8)25-14(21-9)12(19)22/h1-6H,7H2,(H2,19,22).
What are the key properties of 6-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-1,3-benzoxazole-2-carboxamide?
6-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-1,3-benzoxazole-2-carboxamide has a molecular weight of 353.26 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-1,3-benzoxazole-2-carboxamide is sourced from PubChem (CID 177252901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).