5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-2-methyl-1,3-benzoxazole

C17H12F2N4O3 — CID 169290280

IUPAC5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-2-methyl-1,3-benzoxazole
SMILESCc1nc2cc(OCc3ccc(-c4nnc(C(F)F)o4)cn3)ccc2o1
InChIInChI=1S/C17H12F2N4O3/c1-9-21-13-6-12(4-5-14(13)25-9)24-8-11-3-2-10(7-20-11)16-22-23-17(26-16)15(18)19/h2-7,15H,8H2,1H3
InChIKeyMYRNMQOTOHRRSM-UHFFFAOYSA-N
MW358.30 g/mol
LogP4.10
Rot. Bonds5

About 5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-2-methyl-1,3-benzoxazole

5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-2-methyl-1,3-benzoxazole (PubChem CID 169290280) has the molecular formula C17H12F2N4O3 and a molecular weight of 358.30 g/mol. Its IUPAC name is 5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-2-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-2-methyl-1,3-benzoxazole
PubChem CID169290280
Molecular FormulaC17H12F2N4O3
Molecular Weight358.30 g/mol
Exact Mass358.09
IUPAC Name5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-2-methyl-1,3-benzoxazole
SMILESCc1nc2cc(OCc3ccc(-c4nnc(C(F)F)o4)cn3)ccc2o1
InChIInChI=1S/C17H12F2N4O3/c1-9-21-13-6-12(4-5-14(13)25-9)24-8-11-3-2-10(7-20-11)16-22-23-17(26-16)15(18)19/h2-7,15H,8H2,1H3
InChIKeyMYRNMQOTOHRRSM-UHFFFAOYSA-N
XLogP4.10
TPSA87.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.30
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-2-methyl-1,3-benzoxazole?
The IUPAC name of 5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-2-methyl-1,3-benzoxazole (CID 169290280) is 5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-2-methyl-1,3-benzoxazole.
What is the SMILES notation for 5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-2-methyl-1,3-benzoxazole?
The canonical SMILES for 5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-2-methyl-1,3-benzoxazole is Cc1nc2cc(OCc3ccc(-c4nnc(C(F)F)o4)cn3)ccc2o1.
What is the InChIKey of 5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-2-methyl-1,3-benzoxazole?
The InChIKey is MYRNMQOTOHRRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N4O3/c1-9-21-13-6-12(4-5-14(13)25-9)24-8-11-3-2-10(7-20-11)16-22-23-17(26-16)15(18)19/h2-7,15H,8H2,1H3.
What are the key properties of 5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-2-methyl-1,3-benzoxazole?
5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-2-methyl-1,3-benzoxazole has a molecular weight of 358.30 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-2-methyl-1,3-benzoxazole is sourced from PubChem (CID 169290280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).