5-(3-methoxyphenyl)-3-(3-propylbenzimidazol-5-yl)-1,2,4-oxadiazole

C19H18N4O2 — CID 53172731

IUPAC5-(3-methoxyphenyl)-3-(3-propylbenzimidazol-5-yl)-1,2,4-oxadiazole
SMILESCCCn1cnc2ccc(-c3noc(-c4cccc(OC)c4)n3)cc21
InChIInChI=1S/C19H18N4O2/c1-3-9-23-12-20-16-8-7-13(11-17(16)23)18-21-19(25-22-18)14-5-4-6-15(10-14)24-2/h4-8,10-12H,3,9H2,1-2H3
InChIKeyHINUEYJTVWNFAO-UHFFFAOYSA-N
MW334.38 g/mol
LogP4.17
Rot. Bonds5

About 5-(3-methoxyphenyl)-3-(3-propylbenzimidazol-5-yl)-1,2,4-oxadiazole

5-(3-methoxyphenyl)-3-(3-propylbenzimidazol-5-yl)-1,2,4-oxadiazole (PubChem CID 53172731) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-3-(3-propylbenzimidazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-3-(3-propylbenzimidazol-5-yl)-1,2,4-oxadiazole
PubChem CID53172731
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name5-(3-methoxyphenyl)-3-(3-propylbenzimidazol-5-yl)-1,2,4-oxadiazole
SMILESCCCn1cnc2ccc(-c3noc(-c4cccc(OC)c4)n3)cc21
InChIInChI=1S/C19H18N4O2/c1-3-9-23-12-20-16-8-7-13(11-17(16)23)18-21-19(25-22-18)14-5-4-6-15(10-14)24-2/h4-8,10-12H,3,9H2,1-2H3
InChIKeyHINUEYJTVWNFAO-UHFFFAOYSA-N
XLogP4.17
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-ethoxyphenyl)-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53030936
3-(4-fluorophenyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 6459125
5-(3-methoxyphenyl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole
CID 154844159
5-(2-fluorophenyl)-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53030953
5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 107706529
3-(3-methoxyphenyl)-5-propyl-1,2,4-oxadiazole
CID 143434606
2-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-phenylethanone
CID 83284781
3-(4-methylphenyl)-5-(3-propoxyphenyl)-1,2,4-oxadiazole
CID 46300212
3-(3-methoxyphenyl)-5-(4-nitrophenyl)-1,2,4-oxadiazole
CID 2983228
methyl 4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoate
CID 6461496
3-(6-imidazol-1-yl-3-pyridinyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 53171748
3-(4-methoxyphenyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazole
CID 8779241

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-3-(3-propylbenzimidazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3-methoxyphenyl)-3-(3-propylbenzimidazol-5-yl)-1,2,4-oxadiazole (CID 53172731) is 5-(3-methoxyphenyl)-3-(3-propylbenzimidazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-methoxyphenyl)-3-(3-propylbenzimidazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-methoxyphenyl)-3-(3-propylbenzimidazol-5-yl)-1,2,4-oxadiazole is CCCn1cnc2ccc(-c3noc(-c4cccc(OC)c4)n3)cc21.
What is the InChIKey of 5-(3-methoxyphenyl)-3-(3-propylbenzimidazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is HINUEYJTVWNFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-3-9-23-12-20-16-8-7-13(11-17(16)23)18-21-19(25-22-18)14-5-4-6-15(10-14)24-2/h4-8,10-12H,3,9H2,1-2H3.
What are the key properties of 5-(3-methoxyphenyl)-3-(3-propylbenzimidazol-5-yl)-1,2,4-oxadiazole?
5-(3-methoxyphenyl)-3-(3-propylbenzimidazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 334.38 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-3-(3-propylbenzimidazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 53172731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).