6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-3-methyl-1,2-benzoxazole

C16H11F2N5O3 — CID 169290341

IUPAC6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-3-methyl-1,2-benzoxazole
SMILESCc1noc2cc(OCc3ncc(-c4nnc(C(F)F)o4)cn3)ccc12
InChIInChI=1S/C16H11F2N5O3/c1-8-11-3-2-10(4-12(11)26-23-8)24-7-13-19-5-9(6-20-13)15-21-22-16(25-15)14(17)18/h2-6,14H,7H2,1H3
InChIKeyWWIHGMOBDPFSAO-UHFFFAOYSA-N
MW359.29 g/mol
LogP3.49
Rot. Bonds5

About 6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-3-methyl-1,2-benzoxazole

6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-3-methyl-1,2-benzoxazole (PubChem CID 169290341) has the molecular formula C16H11F2N5O3 and a molecular weight of 359.29 g/mol. Its IUPAC name is 6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-3-methyl-1,2-benzoxazole.

Molecular Properties

Compound Name6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-3-methyl-1,2-benzoxazole
PubChem CID169290341
Molecular FormulaC16H11F2N5O3
Molecular Weight359.29 g/mol
Exact Mass359.08
IUPAC Name6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-3-methyl-1,2-benzoxazole
SMILESCc1noc2cc(OCc3ncc(-c4nnc(C(F)F)o4)cn3)ccc12
InChIInChI=1S/C16H11F2N5O3/c1-8-11-3-2-10(4-12(11)26-23-8)24-7-13-19-5-9(6-20-13)15-21-22-16(25-15)14(17)18/h2-6,14H,7H2,1H3
InChIKeyWWIHGMOBDPFSAO-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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Related Compounds

6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole
CID 169290155
6-[[3-fluoro-5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole
CID 170284167
2-(difluoromethyl)-5-[2-[(3-isocyanophenoxy)methyl]pyrimidin-5-yl]-1,3,4-oxadiazole
CID 169290195
6-ethoxy-3-methyl-1,2-benzoxazole
CID 119094129
2-(difluoromethyl)-5-(2-phenylpyrimidin-5-yl)-1,3,4-oxadiazole
CID 162351204
2-(difluoromethyl)-5-[6-(pyrimidin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290165
2-(difluoromethyl)-5-[5-fluoro-6-(pyridin-3-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290300
2-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)-1,3,4-oxadiazole
CID 126507083
5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(3-methylphenyl)cyclobutyl]pyrimidin-2-amine
CID 129032671
2-(difluoromethyl)-5-[6-[(2-methylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290154
5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(4-ethoxy-2-fluorophenyl)cyclopropyl]pyrimidin-2-amine
CID 147955243
2-fluoro-5-[[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]benzonitrile
CID 169235929

Frequently Asked Questions

What is the IUPAC name of 6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-3-methyl-1,2-benzoxazole?
The IUPAC name of 6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-3-methyl-1,2-benzoxazole (CID 169290341) is 6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-3-methyl-1,2-benzoxazole.
What is the SMILES notation for 6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-3-methyl-1,2-benzoxazole?
The canonical SMILES for 6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-3-methyl-1,2-benzoxazole is Cc1noc2cc(OCc3ncc(-c4nnc(C(F)F)o4)cn3)ccc12.
What is the InChIKey of 6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-3-methyl-1,2-benzoxazole?
The InChIKey is WWIHGMOBDPFSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N5O3/c1-8-11-3-2-10(4-12(11)26-23-8)24-7-13-19-5-9(6-20-13)15-21-22-16(25-15)14(17)18/h2-6,14H,7H2,1H3.
What are the key properties of 6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-3-methyl-1,2-benzoxazole?
6-[[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 6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-3-methyl-1,2-benzoxazole is sourced from PubChem (CID 169290341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).