N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide

C27H26N4O5 — CID 55865297

IUPACN-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCOc1ccccc1OCC(=O)Nc1cccc(NC(=O)CCc2nnc(-c3ccc(C)cc3)o2)c1
InChIInChI=1S/C27H26N4O5/c1-18-10-12-19(13-11-18)27-31-30-26(36-27)15-14-24(32)28-20-6-5-7-21(16-20)29-25(33)17-35-23-9-4-3-8-22(23)34-2/h3-13,16H,14-15,17H2,1-2H3,(H,28,32)(H,29,33)
InChIKeyOAEFZPTVXGZKHT-UHFFFAOYSA-N
MW486.53 g/mol
LogP4.64
Rot. Bonds10

About N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide

N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 55865297) has the molecular formula C27H26N4O5 and a molecular weight of 486.53 g/mol. Its IUPAC name is N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID55865297
Molecular FormulaC27H26N4O5
Molecular Weight486.53 g/mol
Exact Mass486.19
IUPAC NameN-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCOc1ccccc1OCC(=O)Nc1cccc(NC(=O)CCc2nnc(-c3ccc(C)cc3)o2)c1
InChIInChI=1S/C27H26N4O5/c1-18-10-12-19(13-11-18)27-31-30-26(36-27)15-14-24(32)28-20-6-5-7-21(16-20)29-25(33)17-35-23-9-4-3-8-22(23)34-2/h3-13,16H,14-15,17H2,1-2H3,(H,28,32)(H,29,33)
InChIKeyOAEFZPTVXGZKHT-UHFFFAOYSA-N
XLogP4.64
TPSA115.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.53
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-(4-methylphenyl)propanamide
CID 60535941
N-(3-methoxyphenyl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110335116
N-(2-methoxy-5-methylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 29206098
2-(2-methoxyphenoxy)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 25284211
N-[2-(2-methoxyphenyl)ethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 51231780
N-(2-ethoxyphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 51229615
N'-[2-(2-fluorophenoxy)acetyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanehydrazide
CID 9085872
N-(3-cyclopentyloxy-4-methoxyphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 55584992
N-(3,4-dichlorophenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 9071658
N-(3-acetamidophenyl)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330586
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pyridin-2-ylpropanamide
CID 18107156
2-(2-methoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 675575

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (CID 55865297) is N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is COc1ccccc1OCC(=O)Nc1cccc(NC(=O)CCc2nnc(-c3ccc(C)cc3)o2)c1.
What is the InChIKey of N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is OAEFZPTVXGZKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O5/c1-18-10-12-19(13-11-18)27-31-30-26(36-27)15-14-24(32)28-20-6-5-7-21(16-20)29-25(33)17-35-23-9-4-3-8-22(23)34-2/h3-13,16H,14-15,17H2,1-2H3,(H,28,32)(H,29,33).
What are the key properties of N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 486.53 g/mol, XLogP of 4.64, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 55865297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).