5-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-3-(3-methylphenyl)-1,2,4-oxadiazole

C20H22N2O3 — CID 174733244

IUPAC5-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
SMILESCOCc1cc(-c2nc(-c3cccc(C)c3)no2)ccc1OC(C)C
InChIInChI=1S/C20H22N2O3/c1-13(2)24-18-9-8-16(11-17(18)12-23-4)20-21-19(22-25-20)15-7-5-6-14(3)10-15/h5-11,13H,12H2,1-4H3
InChIKeyIIKFOVMZMNFAJG-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.65
Rot. Bonds6

About 5-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-3-(3-methylphenyl)-1,2,4-oxadiazole

5-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-3-(3-methylphenyl)-1,2,4-oxadiazole (PubChem CID 174733244) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 5-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-3-(3-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
PubChem CID174733244
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name5-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
SMILESCOCc1cc(-c2nc(-c3cccc(C)c3)no2)ccc1OC(C)C
InChIInChI=1S/C20H22N2O3/c1-13(2)24-18-9-8-16(11-17(18)12-23-4)20-21-19(22-25-20)15-7-5-6-14(3)10-15/h5-11,13H,12H2,1-4H3
InChIKeyIIKFOVMZMNFAJG-UHFFFAOYSA-N
XLogP4.65
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-1,2,4-oxadiazol-3-yl]-2-methylbenzamide
CID 143783911
5-[3-(methoxymethyl)-4-(2-methylpiperidin-1-yl)phenyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 76685326
3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]-5-(3-methylphenyl)-1,2,4-oxadiazole
CID 42851492
3-(3-methylphenyl)-5-phenyl-1,2,4-oxadiazole
CID 2239223
3-(4-methoxyphenyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazole
CID 8779241
N-[[3-[5-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]propan-2-amine
CID 66678507
3-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 59556739
2-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63850250
5-(chloromethyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)-1,2,4-oxadiazole
CID 16779156
5-(2-methoxypyrimidin-5-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 119103240
5-(2-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 2243275
3-(3-methylphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole
CID 2237693

Frequently Asked Questions

What is the IUPAC name of 5-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-3-(3-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-3-(3-methylphenyl)-1,2,4-oxadiazole (CID 174733244) is 5-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-3-(3-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-3-(3-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-3-(3-methylphenyl)-1,2,4-oxadiazole is COCc1cc(-c2nc(-c3cccc(C)c3)no2)ccc1OC(C)C.
What is the InChIKey of 5-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-3-(3-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is IIKFOVMZMNFAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-13(2)24-18-9-8-16(11-17(18)12-23-4)20-21-19(22-25-20)15-7-5-6-14(3)10-15/h5-11,13H,12H2,1-4H3.
What are the key properties of 5-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-3-(3-methylphenyl)-1,2,4-oxadiazole?
5-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-3-(3-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 338.41 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-3-(3-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 174733244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).