5-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazole

C18H19N3O4 — CID 100643804

IUPAC5-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazole
SMILESCOc1ccc(Cc2noc(-c3c(C)noc3C3CC3)n2)cc1OC
InChIInChI=1S/C18H19N3O4/c1-10-16(17(24-20-10)12-5-6-12)18-19-15(21-25-18)9-11-4-7-13(22-2)14(8-11)23-3/h4,7-8,12H,5-6,9H2,1-3H3
InChIKeyQTTIDDGHVMRBTP-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.52
Rot. Bonds6

About 5-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazole

5-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazole (PubChem CID 100643804) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 5-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazole
PubChem CID100643804
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name5-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazole
SMILESCOc1ccc(Cc2noc(-c3c(C)noc3C3CC3)n2)cc1OC
InChIInChI=1S/C18H19N3O4/c1-10-16(17(24-20-10)12-5-6-12)18-19-15(21-25-18)9-11-4-7-13(22-2)14(8-11)23-3/h4,7-8,12H,5-6,9H2,1-3H3
InChIKeyQTTIDDGHVMRBTP-UHFFFAOYSA-N
XLogP3.52
TPSA83.41 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1,2,4-oxadiazol-5-amine
CID 55096339
3-[(3,4-dimethoxyphenyl)methyl]-5-(5-methyloxolan-2-yl)-1,2,4-oxadiazole
CID 128995179
3-(3,4-dimethoxyphenyl)-5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
CID 91917207
3-[(3,4-dimethoxyphenyl)methyl]-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 119948333
[3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 119948324
(1R)-1-[3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 103822484
ethyl 3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxylate
CID 63357944
3-[(3,4-dimethoxyphenyl)methyl]-5-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-1,2,4-oxadiazole
CID 95907115
3-[(3,4-dimethoxyphenyl)methyl]-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;hydrochloride
CID 120840020
5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazole;hydrochloride
CID 119948303
(1R)-1-[3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915242
3-[(3,4-dimethoxyphenyl)methyl]-5-[2-(4-methylphenyl)ethenyl]-1,2,4-oxadiazole
CID 15995429

Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazole (CID 100643804) is 5-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazole is COc1ccc(Cc2noc(-c3c(C)noc3C3CC3)n2)cc1OC.
What is the InChIKey of 5-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazole?
The InChIKey is QTTIDDGHVMRBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-10-16(17(24-20-10)12-5-6-12)18-19-15(21-25-18)9-11-4-7-13(22-2)14(8-11)23-3/h4,7-8,12H,5-6,9H2,1-3H3.
What are the key properties of 5-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazole?
5-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazole has a molecular weight of 341.37 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 100643804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).