3-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-5-(3-fluorophenyl)-1,2,4-oxadiazole

C19H17FN2O3 — CID 42851340

IUPAC3-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-5-(3-fluorophenyl)-1,2,4-oxadiazole
SMILESCOc1cc(-c2noc(-c3cccc(F)c3)n2)ccc1OCC1CC1
InChIInChI=1S/C19H17FN2O3/c1-23-17-10-13(7-8-16(17)24-11-12-5-6-12)18-21-19(25-22-18)14-3-2-4-15(20)9-14/h2-4,7-10,12H,5-6,11H2,1H3
InChIKeyQLRJDAIOKGBCCK-UHFFFAOYSA-N
MW340.35 g/mol
LogP4.34
Rot. Bonds6

About 3-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-5-(3-fluorophenyl)-1,2,4-oxadiazole

3-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-5-(3-fluorophenyl)-1,2,4-oxadiazole (PubChem CID 42851340) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is 3-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-5-(3-fluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-5-(3-fluorophenyl)-1,2,4-oxadiazole
PubChem CID42851340
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Name3-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-5-(3-fluorophenyl)-1,2,4-oxadiazole
SMILESCOc1cc(-c2noc(-c3cccc(F)c3)n2)ccc1OCC1CC1
InChIInChI=1S/C19H17FN2O3/c1-23-17-10-13(7-8-16(17)24-11-12-5-6-12)18-21-19(25-22-18)14-3-2-4-15(20)9-14/h2-4,7-10,12H,5-6,11H2,1H3
InChIKeyQLRJDAIOKGBCCK-UHFFFAOYSA-N
XLogP4.34
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-5-(3-fluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-5-(3-fluorophenyl)-1,2,4-oxadiazole (CID 42851340) is 3-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-5-(3-fluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-5-(3-fluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-5-(3-fluorophenyl)-1,2,4-oxadiazole is COc1cc(-c2noc(-c3cccc(F)c3)n2)ccc1OCC1CC1.
What is the InChIKey of 3-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-5-(3-fluorophenyl)-1,2,4-oxadiazole?
The InChIKey is QLRJDAIOKGBCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c1-23-17-10-13(7-8-16(17)24-11-12-5-6-12)18-21-19(25-22-18)14-3-2-4-15(20)9-14/h2-4,7-10,12H,5-6,11H2,1H3.
What are the key properties of 3-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-5-(3-fluorophenyl)-1,2,4-oxadiazole?
3-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-5-(3-fluorophenyl)-1,2,4-oxadiazole has a molecular weight of 340.35 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-5-(3-fluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 42851340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).