5-(cyclopropylmethoxymethyl)-3-[6-(difluoromethoxy)-3-pyridinyl]-1,2,4-oxadiazole

C13H13F2N3O3 — CID 154846732

IUPAC5-(cyclopropylmethoxymethyl)-3-[6-(difluoromethoxy)-3-pyridinyl]-1,2,4-oxadiazole
SMILESFC(F)Oc1ccc(-c2noc(COCC3CC3)n2)cn1
InChIInChI=1S/C13H13F2N3O3/c14-13(15)20-10-4-3-9(5-16-10)12-17-11(21-18-12)7-19-6-8-1-2-8/h3-5,8,13H,1-2,6-7H2
InChIKeyGLMWTYFJVAESHZ-UHFFFAOYSA-N
MW297.26 g/mol
LogP2.66
Rot. Bonds7

About 5-(cyclopropylmethoxymethyl)-3-[6-(difluoromethoxy)-3-pyridinyl]-1,2,4-oxadiazole

5-(cyclopropylmethoxymethyl)-3-[6-(difluoromethoxy)-3-pyridinyl]-1,2,4-oxadiazole (PubChem CID 154846732) has the molecular formula C13H13F2N3O3 and a molecular weight of 297.26 g/mol. Its IUPAC name is 5-(cyclopropylmethoxymethyl)-3-[6-(difluoromethoxy)-3-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(cyclopropylmethoxymethyl)-3-[6-(difluoromethoxy)-3-pyridinyl]-1,2,4-oxadiazole
PubChem CID154846732
Molecular FormulaC13H13F2N3O3
Molecular Weight297.26 g/mol
Exact Mass297.09
IUPAC Name5-(cyclopropylmethoxymethyl)-3-[6-(difluoromethoxy)-3-pyridinyl]-1,2,4-oxadiazole
SMILESFC(F)Oc1ccc(-c2noc(COCC3CC3)n2)cn1
InChIInChI=1S/C13H13F2N3O3/c14-13(15)20-10-4-3-9(5-16-10)12-17-11(21-18-12)7-19-6-8-1-2-8/h3-5,8,13H,1-2,6-7H2
InChIKeyGLMWTYFJVAESHZ-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 99793585
3-(6-methoxy-3-pyridinyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 119948377
5-(2-cyclopropyloxyethyl)-3-[2-(difluoromethoxy)-4-pyridinyl]-1,2,4-oxadiazole
CID 154846251
[3-[4-(cyclopropylmethoxy)-3-fluorophenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117412205
[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methyl 2-(1,1-dioxothiolan-3-yl)acetate
CID 55405507
(1S,2S,3R)-3-amino-2-[[3-(6-cyclopentyloxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-ol
CID 167794401
3-[3-[6-(2,2-difluoroethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole
CID 167832011
5-(cyclopropylmethoxymethyl)-3-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 99727953
2-[2-(cyclopropylmethoxymethyl)-1,3-oxazol-4-yl]-5-(difluoromethyl)-1,3,4-oxadiazole
CID 156525903
3-[4-(difluoromethoxy)-3-methoxyphenyl]-5-[(2,5-dimethylphenoxy)methyl]-1,2,4-oxadiazole
CID 78817284
2-(difluoromethoxy)-5-pyridin-3-ylpyridine
CID 46316891
1-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120857084

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethoxymethyl)-3-[6-(difluoromethoxy)-3-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(cyclopropylmethoxymethyl)-3-[6-(difluoromethoxy)-3-pyridinyl]-1,2,4-oxadiazole (CID 154846732) is 5-(cyclopropylmethoxymethyl)-3-[6-(difluoromethoxy)-3-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(cyclopropylmethoxymethyl)-3-[6-(difluoromethoxy)-3-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(cyclopropylmethoxymethyl)-3-[6-(difluoromethoxy)-3-pyridinyl]-1,2,4-oxadiazole is FC(F)Oc1ccc(-c2noc(COCC3CC3)n2)cn1.
What is the InChIKey of 5-(cyclopropylmethoxymethyl)-3-[6-(difluoromethoxy)-3-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is GLMWTYFJVAESHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O3/c14-13(15)20-10-4-3-9(5-16-10)12-17-11(21-18-12)7-19-6-8-1-2-8/h3-5,8,13H,1-2,6-7H2.
What are the key properties of 5-(cyclopropylmethoxymethyl)-3-[6-(difluoromethoxy)-3-pyridinyl]-1,2,4-oxadiazole?
5-(cyclopropylmethoxymethyl)-3-[6-(difluoromethoxy)-3-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 297.26 g/mol, XLogP of 2.66, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethoxymethyl)-3-[6-(difluoromethoxy)-3-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 154846732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).