2-(difluoromethyl)-5-[6-[(1-methylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole

C13H11F2N5O2 — CID 169290147

IUPAC2-(difluoromethyl)-5-[6-[(1-methylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESCn1ccc(OCc2ccc(-c3nnc(C(F)F)o3)cn2)n1
InChIInChI=1S/C13H11F2N5O2/c1-20-5-4-10(19-20)21-7-9-3-2-8(6-16-9)12-17-18-13(22-12)11(14)15/h2-6,11H,7H2,1H3
InChIKeyYFSIWLBYTPRASC-UHFFFAOYSA-N
MW307.26 g/mol
LogP2.38
Rot. Bonds5

About 2-(difluoromethyl)-5-[6-[(1-methylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole

2-(difluoromethyl)-5-[6-[(1-methylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole (PubChem CID 169290147) has the molecular formula C13H11F2N5O2 and a molecular weight of 307.26 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[6-[(1-methylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[6-[(1-methylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
PubChem CID169290147
Molecular FormulaC13H11F2N5O2
Molecular Weight307.26 g/mol
Exact Mass307.09
IUPAC Name2-(difluoromethyl)-5-[6-[(1-methylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESCn1ccc(OCc2ccc(-c3nnc(C(F)F)o3)cn2)n1
InChIInChI=1S/C13H11F2N5O2/c1-20-5-4-10(19-20)21-7-9-3-2-8(6-16-9)12-17-18-13(22-12)11(14)15/h2-6,11H,7H2,1H3
InChIKeyYFSIWLBYTPRASC-UHFFFAOYSA-N
XLogP2.38
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.26
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(Difluoromethyl)-5-[6-[[4-(2-methoxy-3-pyridinyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 162722816
2-(Difluoromethyl)-5-[6-[(5-fluoro-3-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169235773
2-(Difluoromethyl)-5-[6-(pyridin-4-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169235825
2-(Difluoromethyl)-5-[6-[(4-fluorophenoxy)methyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169235900
2-(Difluoromethyl)-5-[5-fluoro-6-[(4-fluorophenoxy)methyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169235925
2-[6-[(5-Cyclopropyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole
CID 169290114
2-(Difluoromethyl)-5-[6-[(1-methylindazol-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290117
2-[2-[[5-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]phenyl]acetonitrile
CID 169290122
2-(Difluoromethyl)-5-[6-[(2-ethynylphenoxy)methyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290127
2-(Difluoromethyl)-5-[6-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290135
2-[6-[(6-Cyclopropylpyridazin-3-yl)oxymethyl]-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole
CID 169290137
2-(Difluoromethyl)-5-[6-[(1-ethylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290144

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[6-[(1-methylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[6-[(1-methylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole (CID 169290147) is 2-(difluoromethyl)-5-[6-[(1-methylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[6-[(1-methylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[6-[(1-methylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole is Cn1ccc(OCc2ccc(-c3nnc(C(F)F)o3)cn2)n1.
What is the InChIKey of 2-(difluoromethyl)-5-[6-[(1-methylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is YFSIWLBYTPRASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N5O2/c1-20-5-4-10(19-20)21-7-9-3-2-8(6-16-9)12-17-18-13(22-12)11(14)15/h2-6,11H,7H2,1H3.
What are the key properties of 2-(difluoromethyl)-5-[6-[(1-methylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[6-[(1-methylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 307.26 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[6-[(1-methylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 169290147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).