2-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-propan-2-ylacetamide

C21H23N3O4 — CID 45032784

IUPAC2-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-propan-2-ylacetamide
SMILESCc1ccccc1OCc1nc(-c2ccccc2OCC(=O)NC(C)C)no1
InChIInChI=1S/C21H23N3O4/c1-14(2)22-19(25)12-26-18-11-7-5-9-16(18)21-23-20(28-24-21)13-27-17-10-6-4-8-15(17)3/h4-11,14H,12-13H2,1-3H3,(H,22,25)
InChIKeyUDAXOPZSRTUJRQ-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.53
Rot. Bonds8

About 2-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-propan-2-ylacetamide

2-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-propan-2-ylacetamide (PubChem CID 45032784) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 2-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-propan-2-ylacetamide
PubChem CID45032784
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name2-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-propan-2-ylacetamide
SMILESCc1ccccc1OCc1nc(-c2ccccc2OCC(=O)NC(C)C)no1
InChIInChI=1S/C21H23N3O4/c1-14(2)22-19(25)12-26-18-11-7-5-9-16(18)21-23-20(28-24-21)13-27-17-10-6-4-8-15(17)3/h4-11,14H,12-13H2,1-3H3,(H,22,25)
InChIKeyUDAXOPZSRTUJRQ-UHFFFAOYSA-N
XLogP3.53
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide
CID 45032593
2-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-(4-methylphenyl)acetamide
CID 45032616
2-(2-methylphenoxy)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 39835008
N-(4-methoxyphenyl)-2-[2-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 50753500
2-[2-[5-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 45032694
(2S)-2-[[2-(2-methylphenoxy)acetyl]amino]propanoate
CID 9157045
5-[(2-methylphenoxy)methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 60721266
(2R)-2-[[2-(2-methylphenoxy)acetyl]amino]propanoate
CID 9157049
3-(2-fluorophenyl)-N-[2-[[2-(2-methylphenoxy)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084296
1-(azepan-1-yl)-2-[2-[5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]ethanone
CID 50753390
N-[(2S)-3-methylbutan-2-yl]-2-(2-methylphenoxy)acetamide
CID 94223613
[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2,6-dimethylphenoxy)acetate
CID 55357349

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-propan-2-ylacetamide (CID 45032784) is 2-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-propan-2-ylacetamide is Cc1ccccc1OCc1nc(-c2ccccc2OCC(=O)NC(C)C)no1.
What is the InChIKey of 2-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-propan-2-ylacetamide?
The InChIKey is UDAXOPZSRTUJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-14(2)22-19(25)12-26-18-11-7-5-9-16(18)21-23-20(28-24-21)13-27-17-10-6-4-8-15(17)3/h4-11,14H,12-13H2,1-3H3,(H,22,25).
What are the key properties of 2-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-propan-2-ylacetamide?
2-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-propan-2-ylacetamide has a molecular weight of 381.43 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-propan-2-ylacetamide is sourced from PubChem (CID 45032784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).