2-(5-methoxy-2,4-dimethylphenyl)-5-(4-propan-2-ylpiperazin-1-yl)-1,3,4-oxadiazole

C18H26N4O2 — CID 162486481

IUPAC2-(5-methoxy-2,4-dimethylphenyl)-5-(4-propan-2-ylpiperazin-1-yl)-1,3,4-oxadiazole
SMILESCOc1cc(-c2nnc(N3CCN(C(C)C)CC3)o2)c(C)cc1C
InChIInChI=1S/C18H26N4O2/c1-12(2)21-6-8-22(9-7-21)18-20-19-17(24-18)15-11-16(23-5)14(4)10-13(15)3/h10-12H,6-9H2,1-5H3
InChIKeyCPGURLSQDBLWDS-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.89
Rot. Bonds4

About 2-(5-methoxy-2,4-dimethylphenyl)-5-(4-propan-2-ylpiperazin-1-yl)-1,3,4-oxadiazole

2-(5-methoxy-2,4-dimethylphenyl)-5-(4-propan-2-ylpiperazin-1-yl)-1,3,4-oxadiazole (PubChem CID 162486481) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-(5-methoxy-2,4-dimethylphenyl)-5-(4-propan-2-ylpiperazin-1-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5-methoxy-2,4-dimethylphenyl)-5-(4-propan-2-ylpiperazin-1-yl)-1,3,4-oxadiazole
PubChem CID162486481
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name2-(5-methoxy-2,4-dimethylphenyl)-5-(4-propan-2-ylpiperazin-1-yl)-1,3,4-oxadiazole
SMILESCOc1cc(-c2nnc(N3CCN(C(C)C)CC3)o2)c(C)cc1C
InChIInChI=1S/C18H26N4O2/c1-12(2)21-6-8-22(9-7-21)18-20-19-17(24-18)15-11-16(23-5)14(4)10-13(15)3/h10-12H,6-9H2,1-5H3
InChIKeyCPGURLSQDBLWDS-UHFFFAOYSA-N
XLogP2.89
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(5-methoxy-2,4-dimethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole
CID 162486492
3-methoxy-4-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)aniline
CID 96669531
4-methoxy-3-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)aniline
CID 82484539
2-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-5-propan-2-yl-1,3,4-oxadiazole
CID 110419410
2-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]-5-propan-2-yl-1,3,4-oxadiazole
CID 110419409
2-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-oxadiazole
CID 110419120
2-methoxy-5-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)aniline
CID 82484538
5-(5-methoxy-1,3,4-oxadiazol-2-yl)-2,4-dimethylaniline
CID 102706044
2-methoxy-5-(1-methylpyrazol-4-yl)-4-(4-propan-2-ylpiperazin-1-yl)aniline
CID 168838432
2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-oxadiazole
CID 110603064
2-(4-methoxyphenyl)-5-piperidin-1-yl-1,3,4-oxadiazole
CID 135040543
4-methoxy-6-(4-propan-2-ylpiperazin-1-yl)pyrimidine
CID 175647933

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-2,4-dimethylphenyl)-5-(4-propan-2-ylpiperazin-1-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(5-methoxy-2,4-dimethylphenyl)-5-(4-propan-2-ylpiperazin-1-yl)-1,3,4-oxadiazole (CID 162486481) is 2-(5-methoxy-2,4-dimethylphenyl)-5-(4-propan-2-ylpiperazin-1-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5-methoxy-2,4-dimethylphenyl)-5-(4-propan-2-ylpiperazin-1-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(5-methoxy-2,4-dimethylphenyl)-5-(4-propan-2-ylpiperazin-1-yl)-1,3,4-oxadiazole is COc1cc(-c2nnc(N3CCN(C(C)C)CC3)o2)c(C)cc1C.
What is the InChIKey of 2-(5-methoxy-2,4-dimethylphenyl)-5-(4-propan-2-ylpiperazin-1-yl)-1,3,4-oxadiazole?
The InChIKey is CPGURLSQDBLWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-12(2)21-6-8-22(9-7-21)18-20-19-17(24-18)15-11-16(23-5)14(4)10-13(15)3/h10-12H,6-9H2,1-5H3.
What are the key properties of 2-(5-methoxy-2,4-dimethylphenyl)-5-(4-propan-2-ylpiperazin-1-yl)-1,3,4-oxadiazole?
2-(5-methoxy-2,4-dimethylphenyl)-5-(4-propan-2-ylpiperazin-1-yl)-1,3,4-oxadiazole has a molecular weight of 330.43 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-2,4-dimethylphenyl)-5-(4-propan-2-ylpiperazin-1-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 162486481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).