2-(4-methoxyphenyl)-5-[1-(3-methylphenoxy)propyl]-1,3,4-oxadiazole

C19H20N2O3 — CID 20778406

IUPAC2-(4-methoxyphenyl)-5-[1-(3-methylphenoxy)propyl]-1,3,4-oxadiazole
SMILESCCC(Oc1cccc(C)c1)c1nnc(-c2ccc(OC)cc2)o1
InChIInChI=1S/C19H20N2O3/c1-4-17(23-16-7-5-6-13(2)12-16)19-21-20-18(24-19)14-8-10-15(22-3)11-9-14/h5-12,17H,4H2,1-3H3
InChIKeyLIINECVMLRIYCH-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.58
Rot. Bonds6

About 2-(4-methoxyphenyl)-5-[1-(3-methylphenoxy)propyl]-1,3,4-oxadiazole

2-(4-methoxyphenyl)-5-[1-(3-methylphenoxy)propyl]-1,3,4-oxadiazole (PubChem CID 20778406) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-[1-(3-methylphenoxy)propyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-[1-(3-methylphenoxy)propyl]-1,3,4-oxadiazole
PubChem CID20778406
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-(4-methoxyphenyl)-5-[1-(3-methylphenoxy)propyl]-1,3,4-oxadiazole
SMILESCCC(Oc1cccc(C)c1)c1nnc(-c2ccc(OC)cc2)o1
InChIInChI=1S/C19H20N2O3/c1-4-17(23-16-7-5-6-13(2)12-16)19-21-20-18(24-19)14-8-10-15(22-3)11-9-14/h5-12,17H,4H2,1-3H3
InChIKeyLIINECVMLRIYCH-UHFFFAOYSA-N
XLogP4.58
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-5-(1-phenoxypropyl)-1,3,4-oxadiazole
CID 43913123
2-(1-bromopropyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 62856196
4-methoxy-N-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline
CID 25343436
2-(4-methoxyphenyl)-5-[(1R)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 8597865
N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]carbamothioyl]-2-(3-methylphenoxy)acetamide
CID 14690716
2-[3,5-bis[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 638609
[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 9287607
2-amino-2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetic acid
CID 82363348
[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 3-bromobenzoate
CID 9017371
2-(4-methoxyphenyl)-5-[(1R)-1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-1,3,4-oxadiazole
CID 8582003
2-(4-methoxyphenyl)-5-[(3-methoxyphenyl)sulfanylmethyl]-1,3,4-oxadiazole
CID 35042305
2-(4-methoxyphenyl)-5-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole
CID 53153547

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-[1-(3-methylphenoxy)propyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methoxyphenyl)-5-[1-(3-methylphenoxy)propyl]-1,3,4-oxadiazole (CID 20778406) is 2-(4-methoxyphenyl)-5-[1-(3-methylphenoxy)propyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-[1-(3-methylphenoxy)propyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methoxyphenyl)-5-[1-(3-methylphenoxy)propyl]-1,3,4-oxadiazole is CCC(Oc1cccc(C)c1)c1nnc(-c2ccc(OC)cc2)o1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-[1-(3-methylphenoxy)propyl]-1,3,4-oxadiazole?
The InChIKey is LIINECVMLRIYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-4-17(23-16-7-5-6-13(2)12-16)19-21-20-18(24-19)14-8-10-15(22-3)11-9-14/h5-12,17H,4H2,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-5-[1-(3-methylphenoxy)propyl]-1,3,4-oxadiazole?
2-(4-methoxyphenyl)-5-[1-(3-methylphenoxy)propyl]-1,3,4-oxadiazole has a molecular weight of 324.38 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-[1-(3-methylphenoxy)propyl]-1,3,4-oxadiazole is sourced from PubChem (CID 20778406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).