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

C23H28N4O3 — CID 66551334

IUPAC2-(4-butylphenoxy)-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCCCCc1ccc(OCC(=O)N(Cc2nc(-c3cccnc3)no2)C(C)C)cc1
InChIInChI=1S/C23H28N4O3/c1-4-5-7-18-9-11-20(12-10-18)29-16-22(28)27(17(2)3)15-21-25-23(26-30-21)19-8-6-13-24-14-19/h6,8-14,17H,4-5,7,15-16H2,1-3H3
InChIKeyVXAPTHRGXVHZPC-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.29
Rot. Bonds10

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

2-(4-butylphenoxy)-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide (PubChem CID 66551334) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-(4-butylphenoxy)-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-butylphenoxy)-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
PubChem CID66551334
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name2-(4-butylphenoxy)-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCCCCc1ccc(OCC(=O)N(Cc2nc(-c3cccnc3)no2)C(C)C)cc1
InChIInChI=1S/C23H28N4O3/c1-4-5-7-18-9-11-20(12-10-18)29-16-22(28)27(17(2)3)15-21-25-23(26-30-21)19-8-6-13-24-14-19/h6,8-14,17H,4-5,7,15-16H2,1-3H3
InChIKeyVXAPTHRGXVHZPC-UHFFFAOYSA-N
XLogP4.29
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4-butylphenoxy)-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide with MolForge

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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-butylphenoxy)-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(4-butylphenoxy)-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide (CID 66551334) is 2-(4-butylphenoxy)-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-butylphenoxy)-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(4-butylphenoxy)-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide is CCCCc1ccc(OCC(=O)N(Cc2nc(-c3cccnc3)no2)C(C)C)cc1.
What is the InChIKey of 2-(4-butylphenoxy)-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The InChIKey is VXAPTHRGXVHZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-4-5-7-18-9-11-20(12-10-18)29-16-22(28)27(17(2)3)15-21-25-23(26-30-21)19-8-6-13-24-14-19/h6,8-14,17H,4-5,7,15-16H2,1-3H3.
What are the key properties of 2-(4-butylphenoxy)-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
2-(4-butylphenoxy)-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 4.29, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenoxy)-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 66551334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).