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

C14H13F2N5O2 — CID 169290144

IUPAC2-(difluoromethyl)-5-[6-[(1-ethylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESCCn1ccc(OCc2ccc(-c3nnc(C(F)F)o3)cn2)n1
InChIInChI=1S/C14H13F2N5O2/c1-2-21-6-5-11(20-21)22-8-10-4-3-9(7-17-10)13-18-19-14(23-13)12(15)16/h3-7,12H,2,8H2,1H3
InChIKeyUSJCOHAOHLEAQB-UHFFFAOYSA-N
MW321.29 g/mol
LogP2.86
Rot. Bonds6

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

2-(difluoromethyl)-5-[6-[(1-ethylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole (PubChem CID 169290144) has the molecular formula C14H13F2N5O2 and a molecular weight of 321.29 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[6-[(1-ethylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[6-[(1-ethylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
PubChem CID169290144
Molecular FormulaC14H13F2N5O2
Molecular Weight321.29 g/mol
Exact Mass321.10
IUPAC Name2-(difluoromethyl)-5-[6-[(1-ethylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESCCn1ccc(OCc2ccc(-c3nnc(C(F)F)o3)cn2)n1
InChIInChI=1S/C14H13F2N5O2/c1-2-21-6-5-11(20-21)22-8-10-4-3-9(7-17-10)13-18-19-14(23-13)12(15)16/h3-7,12H,2,8H2,1H3
InChIKeyUSJCOHAOHLEAQB-UHFFFAOYSA-N
XLogP2.86
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.29
LogP ≤ 52.86
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-methylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290147

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[6-[(1-ethylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[6-[(1-ethylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole (CID 169290144) is 2-(difluoromethyl)-5-[6-[(1-ethylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[6-[(1-ethylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[6-[(1-ethylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole is CCn1ccc(OCc2ccc(-c3nnc(C(F)F)o3)cn2)n1.
What is the InChIKey of 2-(difluoromethyl)-5-[6-[(1-ethylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is USJCOHAOHLEAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N5O2/c1-2-21-6-5-11(20-21)22-8-10-4-3-9(7-17-10)13-18-19-14(23-13)12(15)16/h3-7,12H,2,8H2,1H3.
What are the key properties of 2-(difluoromethyl)-5-[6-[(1-ethylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[6-[(1-ethylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 321.29 g/mol, XLogP of 2.86, 6 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-ethylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 169290144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).