5-[(5-methoxy-2-pyridinyl)methoxy]-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazole

C20H14F3N3O3 — CID 118905431

IUPAC5-[(5-methoxy-2-pyridinyl)methoxy]-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazole
SMILESCOc1ccc(COc2ccc3oc(-c4ccc(C(F)(F)F)nc4)nc3c2)nc1
InChIInChI=1S/C20H14F3N3O3/c1-27-15-4-3-13(24-10-15)11-28-14-5-6-17-16(8-14)26-19(29-17)12-2-7-18(25-9-12)20(21,22)23/h2-10H,11H2,1H3
InChIKeyTXAHVIRXDPFNLU-UHFFFAOYSA-N
MW401.34 g/mol
LogP4.89
Rot. Bonds5

About 5-[(5-methoxy-2-pyridinyl)methoxy]-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazole

5-[(5-methoxy-2-pyridinyl)methoxy]-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazole (PubChem CID 118905431) has the molecular formula C20H14F3N3O3 and a molecular weight of 401.34 g/mol. Its IUPAC name is 5-[(5-methoxy-2-pyridinyl)methoxy]-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazole.

Molecular Properties

Compound Name5-[(5-methoxy-2-pyridinyl)methoxy]-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazole
PubChem CID118905431
Molecular FormulaC20H14F3N3O3
Molecular Weight401.34 g/mol
Exact Mass401.10
IUPAC Name5-[(5-methoxy-2-pyridinyl)methoxy]-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazole
SMILESCOc1ccc(COc2ccc3oc(-c4ccc(C(F)(F)F)nc4)nc3c2)nc1
InChIInChI=1S/C20H14F3N3O3/c1-27-15-4-3-13(24-10-15)11-28-14-5-6-17-16(8-14)26-19(29-17)12-2-7-18(25-9-12)20(21,22)23/h2-10H,11H2,1H3
InChIKeyTXAHVIRXDPFNLU-UHFFFAOYSA-N
XLogP4.89
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.34
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[5-(methoxymethoxy)-2-pyridinyl]methoxy]-2-(6-methyl-3-pyridinyl)-1,3-benzoxazole
CID 166644722
1-[3-[5-[(5-methoxy-2-pyridinyl)methoxy]-1,3-benzoxazol-2-yl]phenyl]-N-methylmethanamine
CID 118905097
2-(1-benzofuran-2-yl)-5-[(5-methoxy-2-pyridinyl)methoxy]-1,3-benzoxazole
CID 118905509
2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazole-5-carboxylic acid
CID 58230867
5-[[5-(ethoxymethoxy)-2-pyridinyl]methoxy]-2-pyridin-3-yl-1,3-benzoxazole
CID 159177911
N-methyl-5-[5-[(5-methyl-2-pyridinyl)methoxy]-1,3-benzoxazol-2-yl]pyridine-2-carboxamide
CID 157274002
5-[(4-methoxyphenyl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole
CID 118905169
5-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzoxazol-2-yl]-N,N-dimethylpyridin-2-amine
CID 71453771
2-[2-[2-[2-[2-[[6-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)oxymethyl]-3-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 177055878
(2S)-1-[[2-[6-(dimethylamino)-3-pyridinyl]-1,3-benzoxazol-5-yl]oxy]-3-fluoropropan-2-ol
CID 122413455
6-[[2-[3-(methylaminomethyl)phenyl]-1,3-benzoxazol-5-yl]oxymethyl]pyridin-3-ol
CID 118913258
5-[(5-methoxy-2-pyridinyl)methoxy]-N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-1,3-benzoxazol-2-amine
CID 131983301

Frequently Asked Questions

What is the IUPAC name of 5-[(5-methoxy-2-pyridinyl)methoxy]-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazole?
The IUPAC name of 5-[(5-methoxy-2-pyridinyl)methoxy]-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazole (CID 118905431) is 5-[(5-methoxy-2-pyridinyl)methoxy]-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazole.
What is the SMILES notation for 5-[(5-methoxy-2-pyridinyl)methoxy]-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazole?
The canonical SMILES for 5-[(5-methoxy-2-pyridinyl)methoxy]-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazole is COc1ccc(COc2ccc3oc(-c4ccc(C(F)(F)F)nc4)nc3c2)nc1.
What is the InChIKey of 5-[(5-methoxy-2-pyridinyl)methoxy]-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazole?
The InChIKey is TXAHVIRXDPFNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O3/c1-27-15-4-3-13(24-10-15)11-28-14-5-6-17-16(8-14)26-19(29-17)12-2-7-18(25-9-12)20(21,22)23/h2-10H,11H2,1H3.
What are the key properties of 5-[(5-methoxy-2-pyridinyl)methoxy]-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazole?
5-[(5-methoxy-2-pyridinyl)methoxy]-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazole has a molecular weight of 401.34 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methoxy-2-pyridinyl)methoxy]-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazole is sourced from PubChem (CID 118905431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).