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

C21H25N5O3 — CID 71664035

IUPACN-propan-2-yl-2-(4-propylphenoxy)-N-[(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCCCc1ccc(OCC(=O)N(Cc2nc(-c3cncnc3)no2)C(C)C)cc1
InChIInChI=1S/C21H25N5O3/c1-4-5-16-6-8-18(9-7-16)28-13-20(27)26(15(2)3)12-19-24-21(25-29-19)17-10-22-14-23-11-17/h6-11,14-15H,4-5,12-13H2,1-3H3
InChIKeyAZTCUYYDCIYPHY-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.30
Rot. Bonds9

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

N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide (PubChem CID 71664035) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-(4-propylphenoxy)-N-[(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
PubChem CID71664035
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC NameN-propan-2-yl-2-(4-propylphenoxy)-N-[(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCCCc1ccc(OCC(=O)N(Cc2nc(-c3cncnc3)no2)C(C)C)cc1
InChIInChI=1S/C21H25N5O3/c1-4-5-16-6-8-18(9-7-16)28-13-20(27)26(15(2)3)12-19-24-21(25-29-19)17-10-22-14-23-11-17/h6-11,14-15H,4-5,12-13H2,1-3H3
InChIKeyAZTCUYYDCIYPHY-UHFFFAOYSA-N
XLogP3.30
TPSA94.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The IUPAC name of N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide (CID 71664035) is N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide.
What is the SMILES notation for N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The canonical SMILES for N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide is CCCc1ccc(OCC(=O)N(Cc2nc(-c3cncnc3)no2)C(C)C)cc1.
What is the InChIKey of N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The InChIKey is AZTCUYYDCIYPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-4-5-16-6-8-18(9-7-16)28-13-20(27)26(15(2)3)12-19-24-21(25-29-19)17-10-22-14-23-11-17/h6-11,14-15H,4-5,12-13H2,1-3H3.
What are the key properties of N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide has a molecular weight of 395.46 g/mol, XLogP of 3.30, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 71664035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).