5-(2-cyclopropyloxyethyl)-3-[2-(difluoromethoxy)-4-pyridinyl]-1,2,4-oxadiazole

C13H13F2N3O3 — CID 154846251

IUPAC5-(2-cyclopropyloxyethyl)-3-[2-(difluoromethoxy)-4-pyridinyl]-1,2,4-oxadiazole
SMILESFC(F)Oc1cc(-c2noc(CCOC3CC3)n2)ccn1
InChIInChI=1S/C13H13F2N3O3/c14-13(15)20-11-7-8(3-5-16-11)12-17-10(21-18-12)4-6-19-9-1-2-9/h3,5,7,9,13H,1-2,4,6H2
InChIKeyLTUNBCUGEYVADX-UHFFFAOYSA-N
MW297.26 g/mol
LogP2.45
Rot. Bonds7

About 5-(2-cyclopropyloxyethyl)-3-[2-(difluoromethoxy)-4-pyridinyl]-1,2,4-oxadiazole

5-(2-cyclopropyloxyethyl)-3-[2-(difluoromethoxy)-4-pyridinyl]-1,2,4-oxadiazole (PubChem CID 154846251) has the molecular formula C13H13F2N3O3 and a molecular weight of 297.26 g/mol. Its IUPAC name is 5-(2-cyclopropyloxyethyl)-3-[2-(difluoromethoxy)-4-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-cyclopropyloxyethyl)-3-[2-(difluoromethoxy)-4-pyridinyl]-1,2,4-oxadiazole
PubChem CID154846251
Molecular FormulaC13H13F2N3O3
Molecular Weight297.26 g/mol
Exact Mass297.09
IUPAC Name5-(2-cyclopropyloxyethyl)-3-[2-(difluoromethoxy)-4-pyridinyl]-1,2,4-oxadiazole
SMILESFC(F)Oc1cc(-c2noc(CCOC3CC3)n2)ccn1
InChIInChI=1S/C13H13F2N3O3/c14-13(15)20-11-7-8(3-5-16-11)12-17-10(21-18-12)4-6-19-9-1-2-9/h3,5,7,9,13H,1-2,4,6H2
InChIKeyLTUNBCUGEYVADX-UHFFFAOYSA-N
XLogP2.45
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.26
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-(4-chlorophenyl)sulfanylpropyl]-3-(2-cyclobutyloxy-4-pyridinyl)-1,2,4-oxadiazole
CID 166387170
5-(2,2-difluoro-6-azaspiro[2.5]octan-1-yl)-3-[2-(difluoromethoxy)-4-pyridinyl]-1,2,4-oxadiazole
CID 155600976
5-(cyclopropylmethoxymethyl)-3-[6-(difluoromethoxy)-3-pyridinyl]-1,2,4-oxadiazole
CID 154846732
3-(2-methoxy-4-pyridinyl)-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 99789838
3-[3-[3-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]propanoic acid
CID 97057682
1-(3-fluorophenyl)-2-[3-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 86801623
3-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(pyridin-2-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 46544196
tert-butyl 4-[3-[3-(3-fluoro-4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]propoxy]piperidine-1-carboxylate
CID 68912258
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 31327852
4-fluoro-5-[[3-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3H-1,3-benzoxazol-2-one
CID 178155172
3-[4-(difluoromethoxy)-3-methoxyphenyl]-5-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 46518658
(1R)-1-[5-[2-(difluoromethoxy)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-2,2-difluoro-6-azaspiro[2.5]octane-6-sulfonamide
CID 155682021

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropyloxyethyl)-3-[2-(difluoromethoxy)-4-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(2-cyclopropyloxyethyl)-3-[2-(difluoromethoxy)-4-pyridinyl]-1,2,4-oxadiazole (CID 154846251) is 5-(2-cyclopropyloxyethyl)-3-[2-(difluoromethoxy)-4-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-cyclopropyloxyethyl)-3-[2-(difluoromethoxy)-4-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-cyclopropyloxyethyl)-3-[2-(difluoromethoxy)-4-pyridinyl]-1,2,4-oxadiazole is FC(F)Oc1cc(-c2noc(CCOC3CC3)n2)ccn1.
What is the InChIKey of 5-(2-cyclopropyloxyethyl)-3-[2-(difluoromethoxy)-4-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is LTUNBCUGEYVADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O3/c14-13(15)20-11-7-8(3-5-16-11)12-17-10(21-18-12)4-6-19-9-1-2-9/h3,5,7,9,13H,1-2,4,6H2.
What are the key properties of 5-(2-cyclopropyloxyethyl)-3-[2-(difluoromethoxy)-4-pyridinyl]-1,2,4-oxadiazole?
5-(2-cyclopropyloxyethyl)-3-[2-(difluoromethoxy)-4-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 297.26 g/mol, XLogP of 2.45, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropyloxyethyl)-3-[2-(difluoromethoxy)-4-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 154846251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).