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

C22H26N4O3 — CID 66551729

IUPACN-propan-2-yl-2-(4-propan-2-ylphenoxy)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCC(C)c1ccc(OCC(=O)N(Cc2nc(-c3cccnc3)no2)C(C)C)cc1
InChIInChI=1S/C22H26N4O3/c1-15(2)17-7-9-19(10-8-17)28-14-21(27)26(16(3)4)13-20-24-22(25-29-20)18-6-5-11-23-12-18/h5-12,15-16H,13-14H2,1-4H3
InChIKeyIXZMAOOXIXJHSV-UHFFFAOYSA-N
MW394.48 g/mol
LogP4.07
Rot. Bonds8

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

N-propan-2-yl-2-(4-propan-2-ylphenoxy)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide (PubChem CID 66551729) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-propan-2-yl-2-(4-propan-2-ylphenoxy)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-(4-propan-2-ylphenoxy)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
PubChem CID66551729
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-propan-2-yl-2-(4-propan-2-ylphenoxy)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCC(C)c1ccc(OCC(=O)N(Cc2nc(-c3cccnc3)no2)C(C)C)cc1
InChIInChI=1S/C22H26N4O3/c1-15(2)17-7-9-19(10-8-17)28-14-21(27)26(16(3)4)13-20-24-22(25-29-20)18-6-5-11-23-12-18/h5-12,15-16H,13-14H2,1-4H3
InChIKeyIXZMAOOXIXJHSV-UHFFFAOYSA-N
XLogP4.07
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(4-propan-2-ylphenoxy)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The IUPAC name of N-propan-2-yl-2-(4-propan-2-ylphenoxy)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide (CID 66551729) is N-propan-2-yl-2-(4-propan-2-ylphenoxy)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide.
What is the SMILES notation for N-propan-2-yl-2-(4-propan-2-ylphenoxy)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The canonical SMILES for N-propan-2-yl-2-(4-propan-2-ylphenoxy)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide is CC(C)c1ccc(OCC(=O)N(Cc2nc(-c3cccnc3)no2)C(C)C)cc1.
What is the InChIKey of N-propan-2-yl-2-(4-propan-2-ylphenoxy)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The InChIKey is IXZMAOOXIXJHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-15(2)17-7-9-19(10-8-17)28-14-21(27)26(16(3)4)13-20-24-22(25-29-20)18-6-5-11-23-12-18/h5-12,15-16H,13-14H2,1-4H3.
What are the key properties of N-propan-2-yl-2-(4-propan-2-ylphenoxy)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
N-propan-2-yl-2-(4-propan-2-ylphenoxy)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide has a molecular weight of 394.48 g/mol, XLogP of 4.07, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(4-propan-2-ylphenoxy)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 66551729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).