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

C16H11F2N5O3 — CID 169290151

IUPAC5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-2-methyl-1,3-benzoxazole
SMILESCc1nc2cc(OCc3ncc(-c4nnc(C(F)F)o4)cn3)ccc2o1
InChIInChI=1S/C16H11F2N5O3/c1-8-21-11-4-10(2-3-12(11)25-8)24-7-13-19-5-9(6-20-13)15-22-23-16(26-15)14(17)18/h2-6,14H,7H2,1H3
InChIKeySAWBUYAAKCSYBQ-UHFFFAOYSA-N
MW359.29 g/mol
LogP3.49
Rot. Bonds5

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

5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-2-methyl-1,3-benzoxazole (PubChem CID 169290151) has the molecular formula C16H11F2N5O3 and a molecular weight of 359.29 g/mol. Its IUPAC name is 5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-2-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-2-methyl-1,3-benzoxazole
PubChem CID169290151
Molecular FormulaC16H11F2N5O3
Molecular Weight359.29 g/mol
Exact Mass359.08
IUPAC Name5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-2-methyl-1,3-benzoxazole
SMILESCc1nc2cc(OCc3ncc(-c4nnc(C(F)F)o4)cn3)ccc2o1
InChIInChI=1S/C16H11F2N5O3/c1-8-21-11-4-10(2-3-12(11)25-8)24-7-13-19-5-9(6-20-13)15-22-23-16(26-15)14(17)18/h2-6,14H,7H2,1H3
InChIKeySAWBUYAAKCSYBQ-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 5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-2-methyl-1,3-benzoxazole?
The IUPAC name of 5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-2-methyl-1,3-benzoxazole (CID 169290151) is 5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-2-methyl-1,3-benzoxazole.
What is the SMILES notation for 5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-2-methyl-1,3-benzoxazole?
The canonical SMILES for 5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-2-methyl-1,3-benzoxazole is Cc1nc2cc(OCc3ncc(-c4nnc(C(F)F)o4)cn3)ccc2o1.
What is the InChIKey of 5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-2-methyl-1,3-benzoxazole?
The InChIKey is SAWBUYAAKCSYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N5O3/c1-8-21-11-4-10(2-3-12(11)25-8)24-7-13-19-5-9(6-20-13)15-22-23-16(26-15)14(17)18/h2-6,14H,7H2,1H3.
What are the key properties of 5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-2-methyl-1,3-benzoxazole?
5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-2-methyl-1,3-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 5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-2-methyl-1,3-benzoxazole is sourced from PubChem (CID 169290151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).