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

C16H11F2N5O3 — CID 169290202

IUPAC4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-3-methyl-1,2-benzoxazole
SMILESCc1noc2cccc(OCc3ncc(-c4nnc(C(F)F)o4)cn3)c12
InChIInChI=1S/C16H11F2N5O3/c1-8-13-10(3-2-4-11(13)26-23-8)24-7-12-19-5-9(6-20-12)15-21-22-16(25-15)14(17)18/h2-6,14H,7H2,1H3
InChIKeyGRXJVINOXPIOEK-UHFFFAOYSA-N
MW359.29 g/mol
LogP3.49
Rot. Bonds5

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

4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-3-methyl-1,2-benzoxazole (PubChem CID 169290202) has the molecular formula C16H11F2N5O3 and a molecular weight of 359.29 g/mol. Its IUPAC name is 4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-3-methyl-1,2-benzoxazole.

Molecular Properties

Compound Name4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-3-methyl-1,2-benzoxazole
PubChem CID169290202
Molecular FormulaC16H11F2N5O3
Molecular Weight359.29 g/mol
Exact Mass359.08
IUPAC Name4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-3-methyl-1,2-benzoxazole
SMILESCc1noc2cccc(OCc3ncc(-c4nnc(C(F)F)o4)cn3)c12
InChIInChI=1S/C16H11F2N5O3/c1-8-13-10(3-2-4-11(13)26-23-8)24-7-12-19-5-9(6-20-12)15-21-22-16(25-15)14(17)18/h2-6,14H,7H2,1H3
InChIKeyGRXJVINOXPIOEK-UHFFFAOYSA-N
XLogP3.49
TPSA99.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.29
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-3-methyl-1,2-benzoxazole?
The IUPAC name of 4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-3-methyl-1,2-benzoxazole (CID 169290202) is 4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-3-methyl-1,2-benzoxazole.
What is the SMILES notation for 4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-3-methyl-1,2-benzoxazole?
The canonical SMILES for 4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-3-methyl-1,2-benzoxazole is Cc1noc2cccc(OCc3ncc(-c4nnc(C(F)F)o4)cn3)c12.
What is the InChIKey of 4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-3-methyl-1,2-benzoxazole?
The InChIKey is GRXJVINOXPIOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N5O3/c1-8-13-10(3-2-4-11(13)26-23-8)24-7-12-19-5-9(6-20-12)15-21-22-16(25-15)14(17)18/h2-6,14H,7H2,1H3.
What are the key properties of 4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-3-methyl-1,2-benzoxazole?
4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-3-methyl-1,2-benzoxazole has a molecular weight of 359.29 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-3-methyl-1,2-benzoxazole is sourced from PubChem (CID 169290202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).