2-[4-(2-methylpropyl)phenoxy]-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide

C23H28N4O3 — CID 66551730

IUPAC2-[4-(2-methylpropyl)phenoxy]-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCC(C)Cc1ccc(OCC(=O)N(Cc2nc(-c3cccnc3)no2)C(C)C)cc1
InChIInChI=1S/C23H28N4O3/c1-16(2)12-18-7-9-20(10-8-18)29-15-22(28)27(17(3)4)14-21-25-23(26-30-21)19-6-5-11-24-13-19/h5-11,13,16-17H,12,14-15H2,1-4H3
InChIKeyXYGNIDZIJKVAFT-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.15
Rot. Bonds9

About 2-[4-(2-methylpropyl)phenoxy]-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide

2-[4-(2-methylpropyl)phenoxy]-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide (PubChem CID 66551730) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-[4-(2-methylpropyl)phenoxy]-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-methylpropyl)phenoxy]-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
PubChem CID66551730
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name2-[4-(2-methylpropyl)phenoxy]-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCC(C)Cc1ccc(OCC(=O)N(Cc2nc(-c3cccnc3)no2)C(C)C)cc1
InChIInChI=1S/C23H28N4O3/c1-16(2)12-18-7-9-20(10-8-18)29-15-22(28)27(17(3)4)14-21-25-23(26-30-21)19-6-5-11-24-13-19/h5-11,13,16-17H,12,14-15H2,1-4H3
InChIKeyXYGNIDZIJKVAFT-UHFFFAOYSA-N
XLogP4.15
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[4-(5-Ethyl-1,2,4-oxadiazol-3-yl)phenoxy]-3-methyl-pentyl]-3-(4-pyridyl)imidazolidin-2-one
CID 5278485
N-isopropyl-2-(4-propylphenoxy)-N-((3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl)methyl)acetamide
CID 56945245
Enterovirus 71 Inhibitor NLD-22
CID 146018673
1-[3-Methyl-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]-3-(4-pyridyl)imidazolidin-2-one
CID 5278484
1-(2-Amino-4-pyridinyl)-3-[5-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenoxy]-3-methylpentyl]imidazolidin-2-one
CID 155520438
1-(2-Amino-4-pyridinyl)-3-[3-methyl-5-[4-(5-propyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]imidazolidin-2-one
CID 155527644
1-(2-Amino-4-pyridinyl)-3-[3-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pentyl]imidazolidin-2-one
CID 155529831
1-(2-Amino-4-pyridinyl)-3-[5-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenoxy]-3-methylpentyl]imidazolidin-2-one
CID 155562012
1-(2-Amino-4-pyridinyl)-3-[3-methyl-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]imidazolidin-2-one
CID 155563861
N-benzyl-2-(4-methylphenoxy)-N-pyridin-2-ylacetamide
CID 698463
4-[5-[(4-Methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]pyridine
CID 806077
3-{5-[(2-Methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}pyridine
CID 874555

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropyl)phenoxy]-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-[4-(2-methylpropyl)phenoxy]-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide (CID 66551730) is 2-[4-(2-methylpropyl)phenoxy]-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-[4-(2-methylpropyl)phenoxy]-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-[4-(2-methylpropyl)phenoxy]-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide is CC(C)Cc1ccc(OCC(=O)N(Cc2nc(-c3cccnc3)no2)C(C)C)cc1.
What is the InChIKey of 2-[4-(2-methylpropyl)phenoxy]-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The InChIKey is XYGNIDZIJKVAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-16(2)12-18-7-9-20(10-8-18)29-15-22(28)27(17(3)4)14-21-25-23(26-30-21)19-6-5-11-24-13-19/h5-11,13,16-17H,12,14-15H2,1-4H3.
What are the key properties of 2-[4-(2-methylpropyl)phenoxy]-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
2-[4-(2-methylpropyl)phenoxy]-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide has a molecular weight of 408.50 g/mol, XLogP of 4.15, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropyl)phenoxy]-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 66551730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).