3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]propanamide

C27H27N3O4 — CID 46461382

IUPAC3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]propanamide
SMILESCOc1ccc(-c2noc(CCC(=O)NCc3ccc(OCc4cccc(C)c4)cc3)n2)cc1
InChIInChI=1S/C27H27N3O4/c1-19-4-3-5-21(16-19)18-33-24-10-6-20(7-11-24)17-28-25(31)14-15-26-29-27(30-34-26)22-8-12-23(32-2)13-9-22/h3-13,16H,14-15,17-18H2,1-2H3,(H,28,31)
InChIKeyWTLZQGABDYUIFD-UHFFFAOYSA-N
MW457.53 g/mol
LogP4.88
Rot. Bonds10

About 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]propanamide

3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]propanamide (PubChem CID 46461382) has the molecular formula C27H27N3O4 and a molecular weight of 457.53 g/mol. Its IUPAC name is 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]propanamide
PubChem CID46461382
Molecular FormulaC27H27N3O4
Molecular Weight457.53 g/mol
Exact Mass457.20
IUPAC Name3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]propanamide
SMILESCOc1ccc(-c2noc(CCC(=O)NCc3ccc(OCc4cccc(C)c4)cc3)n2)cc1
InChIInChI=1S/C27H27N3O4/c1-19-4-3-5-21(16-19)18-33-24-10-6-20(7-11-24)17-28-25(31)14-15-26-29-27(30-34-26)22-8-12-23(32-2)13-9-22/h3-13,16H,14-15,17-18H2,1-2H3,(H,28,31)
InChIKeyWTLZQGABDYUIFD-UHFFFAOYSA-N
XLogP4.88
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 39157817
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(6-methoxynaphthalen-2-yl)methyl]propanamide
CID 46588266
N-[(3,4-dimethoxyphenyl)methyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 17442023
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 667378
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]propanamide
CID 3242260
3-[[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]methyl]benzamide
CID 32637808
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 100759222
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(4-methylphenoxy)butyl]propanamide
CID 55751256
N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55662648
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methyl-2-pyridinyl)propanamide
CID 3631234
2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 25238116
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 31544496

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]propanamide?
The IUPAC name of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]propanamide (CID 46461382) is 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]propanamide.
What is the SMILES notation for 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]propanamide?
The canonical SMILES for 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]propanamide is COc1ccc(-c2noc(CCC(=O)NCc3ccc(OCc4cccc(C)c4)cc3)n2)cc1.
What is the InChIKey of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]propanamide?
The InChIKey is WTLZQGABDYUIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O4/c1-19-4-3-5-21(16-19)18-33-24-10-6-20(7-11-24)17-28-25(31)14-15-26-29-27(30-34-26)22-8-12-23(32-2)13-9-22/h3-13,16H,14-15,17-18H2,1-2H3,(H,28,31).
What are the key properties of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]propanamide?
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]propanamide has a molecular weight of 457.53 g/mol, XLogP of 4.88, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]propanamide is sourced from PubChem (CID 46461382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).