2-[2-methoxy-5-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenoxy]acetamide

C20H22N4O4 — CID 60542358

IUPAC2-[2-methoxy-5-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenoxy]acetamide
SMILESCOc1ccc(NC(C)c2nnc(-c3ccc(C)cc3)o2)cc1OCC(N)=O
InChIInChI=1S/C20H22N4O4/c1-12-4-6-14(7-5-12)20-24-23-19(28-20)13(2)22-15-8-9-16(26-3)17(10-15)27-11-18(21)25/h4-10,13,22H,11H2,1-3H3,(H2,21,25)
InChIKeyWBBHWNMLWXZPDH-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.09
Rot. Bonds8

About 2-[2-methoxy-5-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenoxy]acetamide

2-[2-methoxy-5-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenoxy]acetamide (PubChem CID 60542358) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-[2-methoxy-5-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-methoxy-5-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenoxy]acetamide
PubChem CID60542358
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name2-[2-methoxy-5-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenoxy]acetamide
SMILESCOc1ccc(NC(C)c2nnc(-c3ccc(C)cc3)o2)cc1OCC(N)=O
InChIInChI=1S/C20H22N4O4/c1-12-4-6-14(7-5-12)20-24-23-19(28-20)13(2)22-15-8-9-16(26-3)17(10-15)27-11-18(21)25/h4-10,13,22H,11H2,1-3H3,(H2,21,25)
InChIKeyWBBHWNMLWXZPDH-UHFFFAOYSA-N
XLogP3.09
TPSA112.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-N-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline
CID 25357173
2-[5-[1-(2,6-difluorophenyl)ethylamino]-2-methoxyphenoxy]acetamide
CID 56805403
N-[2-methoxy-5-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]methanesulfonamide
CID 37329403
2-[5-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-methoxyphenoxy]acetamide
CID 95624444
2-[5-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-methoxyphenoxy]acetamide
CID 95624450
2-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-N-(2,6-dimethylphenyl)propanamide
CID 47065312
N-[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,3-benzodioxol-5-amine
CID 25340888
4-methyl-N-[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-(trifluoromethyl)aniline
CID 97070640
4-methyl-N-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-(trifluoromethyl)aniline
CID 97070639
4-chloro-3-fluoro-N-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline
CID 99583468
4-chloro-2-methoxy-5-methyl-N-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline
CID 51202900
N-[4-methoxy-3-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]phenyl]acetamide
CID 55431879

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-5-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenoxy]acetamide?
The IUPAC name of 2-[2-methoxy-5-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenoxy]acetamide (CID 60542358) is 2-[2-methoxy-5-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenoxy]acetamide.
What is the SMILES notation for 2-[2-methoxy-5-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenoxy]acetamide?
The canonical SMILES for 2-[2-methoxy-5-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenoxy]acetamide is COc1ccc(NC(C)c2nnc(-c3ccc(C)cc3)o2)cc1OCC(N)=O.
What is the InChIKey of 2-[2-methoxy-5-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenoxy]acetamide?
The InChIKey is WBBHWNMLWXZPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-12-4-6-14(7-5-12)20-24-23-19(28-20)13(2)22-15-8-9-16(26-3)17(10-15)27-11-18(21)25/h4-10,13,22H,11H2,1-3H3,(H2,21,25).
What are the key properties of 2-[2-methoxy-5-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenoxy]acetamide?
2-[2-methoxy-5-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenoxy]acetamide has a molecular weight of 382.42 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-5-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenoxy]acetamide is sourced from PubChem (CID 60542358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).