3-(3-methoxy-4-propan-2-yloxyphenyl)-5-[5-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]-1,2,4-oxadiazole

C26H26N6O4 — CID 50838051

IUPAC3-(3-methoxy-4-propan-2-yloxyphenyl)-5-[5-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]-1,2,4-oxadiazole
SMILESCOc1cc(-c2noc(-c3nnn(Cc4nc(-c5ccccc5)oc4C)c3C)n2)ccc1OC(C)C
InChIInChI=1S/C26H26N6O4/c1-15(2)34-21-12-11-19(13-22(21)33-5)24-28-26(36-30-24)23-16(3)32(31-29-23)14-20-17(4)35-25(27-20)18-9-7-6-8-10-18/h6-13,15H,14H2,1-5H3
InChIKeyIPKOFJHLDLEMLM-UHFFFAOYSA-N
MW486.53 g/mol
LogP5.11
Rot. Bonds8

About 3-(3-methoxy-4-propan-2-yloxyphenyl)-5-[5-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]-1,2,4-oxadiazole

3-(3-methoxy-4-propan-2-yloxyphenyl)-5-[5-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]-1,2,4-oxadiazole (PubChem CID 50838051) has the molecular formula C26H26N6O4 and a molecular weight of 486.53 g/mol. Its IUPAC name is 3-(3-methoxy-4-propan-2-yloxyphenyl)-5-[5-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-methoxy-4-propan-2-yloxyphenyl)-5-[5-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]-1,2,4-oxadiazole
PubChem CID50838051
Molecular FormulaC26H26N6O4
Molecular Weight486.53 g/mol
Exact Mass486.20
IUPAC Name3-(3-methoxy-4-propan-2-yloxyphenyl)-5-[5-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]-1,2,4-oxadiazole
SMILESCOc1cc(-c2noc(-c3nnn(Cc4nc(-c5ccccc5)oc4C)c3C)n2)ccc1OC(C)C
InChIInChI=1S/C26H26N6O4/c1-15(2)34-21-12-11-19(13-22(21)33-5)24-28-26(36-30-24)23-16(3)32(31-29-23)14-20-17(4)35-25(27-20)18-9-7-6-8-10-18/h6-13,15H,14H2,1-5H3
InChIKeyIPKOFJHLDLEMLM-UHFFFAOYSA-N
XLogP5.11
TPSA114.12 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.53
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 3-(3-methoxy-4-propan-2-yloxyphenyl)-5-[5-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[5-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 50838187
5-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-methyltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole
CID 50838067
3-(3,5-dimethoxyphenyl)-5-[1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-methyltriazol-4-yl]-1,2,4-oxadiazole
CID 50838040
N-(3,4-dimethoxyphenyl)-5-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazole-4-carboxamide
CID 53089185
3-(3,4-dimethoxyphenyl)-5-(4-phenylphenyl)-1,2,4-oxadiazole
CID 8895210
N-(2,5-dimethoxyphenyl)-5-methyl-1-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]triazole-4-carboxamide
CID 53089189
3-(3-methoxy-5-methyl-4-propan-2-yloxyphenyl)-5-phenyl-1,2,4-oxadiazole
CID 71094125
5-(3,4-dimethoxyphenyl)-3-[3-methoxy-4-(1-phenylethoxy)phenyl]-1,2,4-oxadiazole
CID 46044246
2-(3,4-dimethoxyphenyl)-5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53210695
5-[1-(4-bromophenyl)-5-methyltriazol-4-yl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 18592225
5-(chloromethyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)-1,2,4-oxadiazole
CID 16779156
5-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one
CID 22575313

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-4-propan-2-yloxyphenyl)-5-[5-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(3-methoxy-4-propan-2-yloxyphenyl)-5-[5-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]-1,2,4-oxadiazole (CID 50838051) is 3-(3-methoxy-4-propan-2-yloxyphenyl)-5-[5-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-methoxy-4-propan-2-yloxyphenyl)-5-[5-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-methoxy-4-propan-2-yloxyphenyl)-5-[5-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]-1,2,4-oxadiazole is COc1cc(-c2noc(-c3nnn(Cc4nc(-c5ccccc5)oc4C)c3C)n2)ccc1OC(C)C.
What is the InChIKey of 3-(3-methoxy-4-propan-2-yloxyphenyl)-5-[5-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]-1,2,4-oxadiazole?
The InChIKey is IPKOFJHLDLEMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O4/c1-15(2)34-21-12-11-19(13-22(21)33-5)24-28-26(36-30-24)23-16(3)32(31-29-23)14-20-17(4)35-25(27-20)18-9-7-6-8-10-18/h6-13,15H,14H2,1-5H3.
What are the key properties of 3-(3-methoxy-4-propan-2-yloxyphenyl)-5-[5-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]-1,2,4-oxadiazole?
3-(3-methoxy-4-propan-2-yloxyphenyl)-5-[5-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]-1,2,4-oxadiazole has a molecular weight of 486.53 g/mol, XLogP of 5.11, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-4-propan-2-yloxyphenyl)-5-[5-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 50838051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).