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

C24H30N4O3 — CID 66551335

IUPAC2-(4-pentylphenoxy)-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCCCCCc1ccc(OCC(=O)N(Cc2nc(-c3cccnc3)no2)C(C)C)cc1
InChIInChI=1S/C24H30N4O3/c1-4-5-6-8-19-10-12-21(13-11-19)30-17-23(29)28(18(2)3)16-22-26-24(27-31-22)20-9-7-14-25-15-20/h7,9-15,18H,4-6,8,16-17H2,1-3H3
InChIKeyPPGJDUAQKIZKSG-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.68
Rot. Bonds11

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

2-(4-pentylphenoxy)-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide (PubChem CID 66551335) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 2-(4-pentylphenoxy)-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-pentylphenoxy)-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
PubChem CID66551335
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name2-(4-pentylphenoxy)-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCCCCCc1ccc(OCC(=O)N(Cc2nc(-c3cccnc3)no2)C(C)C)cc1
InChIInChI=1S/C24H30N4O3/c1-4-5-6-8-19-10-12-21(13-11-19)30-17-23(29)28(18(2)3)16-22-26-24(27-31-22)20-9-7-14-25-15-20/h7,9-15,18H,4-6,8,16-17H2,1-3H3
InChIKeyPPGJDUAQKIZKSG-UHFFFAOYSA-N
XLogP4.68
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-pentylphenoxy)-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(4-pentylphenoxy)-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide (CID 66551335) is 2-(4-pentylphenoxy)-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-pentylphenoxy)-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(4-pentylphenoxy)-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide is CCCCCc1ccc(OCC(=O)N(Cc2nc(-c3cccnc3)no2)C(C)C)cc1.
What is the InChIKey of 2-(4-pentylphenoxy)-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The InChIKey is PPGJDUAQKIZKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-4-5-6-8-19-10-12-21(13-11-19)30-17-23(29)28(18(2)3)16-22-26-24(27-31-22)20-9-7-14-25-15-20/h7,9-15,18H,4-6,8,16-17H2,1-3H3.
What are the key properties of 2-(4-pentylphenoxy)-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
2-(4-pentylphenoxy)-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide has a molecular weight of 422.53 g/mol, XLogP of 4.68, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pentylphenoxy)-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 66551335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).