2-(5-methoxy-2-pyridinyl)-5-propan-2-yl-1,3,4-oxadiazole

C11H13N3O2 — CID 169162935

IUPAC2-(5-methoxy-2-pyridinyl)-5-propan-2-yl-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(C(C)C)o2)nc1
InChIInChI=1S/C11H13N3O2/c1-7(2)10-13-14-11(16-10)9-5-4-8(15-3)6-12-9/h4-7H,1-3H3
InChIKeyLHIGGWQFSBELSB-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.26
Rot. Bonds3

About 2-(5-methoxy-2-pyridinyl)-5-propan-2-yl-1,3,4-oxadiazole

2-(5-methoxy-2-pyridinyl)-5-propan-2-yl-1,3,4-oxadiazole (PubChem CID 169162935) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-(5-methoxy-2-pyridinyl)-5-propan-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5-methoxy-2-pyridinyl)-5-propan-2-yl-1,3,4-oxadiazole
PubChem CID169162935
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-(5-methoxy-2-pyridinyl)-5-propan-2-yl-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(C(C)C)o2)nc1
InChIInChI=1S/C11H13N3O2/c1-7(2)10-13-14-11(16-10)9-5-4-8(15-3)6-12-9/h4-7H,1-3H3
InChIKeyLHIGGWQFSBELSB-UHFFFAOYSA-N
XLogP2.26
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-propan-2-yl-5-[5-(trifluoromethoxy)-2-pyridinyl]-1,3,4-oxadiazole
CID 169162789
6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridin-3-amine
CID 146552784
2-propan-2-yl-5-pyrazin-2-yl-1,3,4-oxadiazole
CID 53017496
5-methoxy-2-pyridin-4-ylpyridine
CID 46315979
2-(1-bromopropyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 62856196
6-(5-methoxy-2-pyridinyl)pyridazin-3-amine
CID 142791186
2-propan-2-yl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole
CID 169163359
5-methoxy-2-pyridin-2-ylpyridine
CID 604153
[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(4-chlorophenoxy)acetate
CID 9229442
2-(2-bromo-5-methoxyphenyl)-5-(1-chloroethyl)-1,3,4-oxadiazole
CID 43513067
1-(4-methoxyphenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 3555224
2-(3,5-dibromophenyl)-5-propan-2-yl-1,3,4-oxadiazole
CID 104530677

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-2-pyridinyl)-5-propan-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(5-methoxy-2-pyridinyl)-5-propan-2-yl-1,3,4-oxadiazole (CID 169162935) is 2-(5-methoxy-2-pyridinyl)-5-propan-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5-methoxy-2-pyridinyl)-5-propan-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(5-methoxy-2-pyridinyl)-5-propan-2-yl-1,3,4-oxadiazole is COc1ccc(-c2nnc(C(C)C)o2)nc1.
What is the InChIKey of 2-(5-methoxy-2-pyridinyl)-5-propan-2-yl-1,3,4-oxadiazole?
The InChIKey is LHIGGWQFSBELSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-7(2)10-13-14-11(16-10)9-5-4-8(15-3)6-12-9/h4-7H,1-3H3.
What are the key properties of 2-(5-methoxy-2-pyridinyl)-5-propan-2-yl-1,3,4-oxadiazole?
2-(5-methoxy-2-pyridinyl)-5-propan-2-yl-1,3,4-oxadiazole has a molecular weight of 219.24 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-2-pyridinyl)-5-propan-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 169162935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).