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

C22H27N5O3 — CID 71664037

IUPAC2-(4-butylphenoxy)-N-propan-2-yl-N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCCCCc1ccc(OCC(=O)N(Cc2nc(-c3cnccn3)no2)C(C)C)cc1
InChIInChI=1S/C22H27N5O3/c1-4-5-6-17-7-9-18(10-8-17)29-15-21(28)27(16(2)3)14-20-25-22(26-30-20)19-13-23-11-12-24-19/h7-13,16H,4-6,14-15H2,1-3H3
InChIKeyMKIQVOYVLHTYHS-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.69
Rot. Bonds10

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

2-(4-butylphenoxy)-N-propan-2-yl-N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide (PubChem CID 71664037) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-(4-butylphenoxy)-N-propan-2-yl-N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-butylphenoxy)-N-propan-2-yl-N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
PubChem CID71664037
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC Name2-(4-butylphenoxy)-N-propan-2-yl-N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCCCCc1ccc(OCC(=O)N(Cc2nc(-c3cnccn3)no2)C(C)C)cc1
InChIInChI=1S/C22H27N5O3/c1-4-5-6-17-7-9-18(10-8-17)29-15-21(28)27(16(2)3)14-20-25-22(26-30-20)19-13-23-11-12-24-19/h7-13,16H,4-6,14-15H2,1-3H3
InChIKeyMKIQVOYVLHTYHS-UHFFFAOYSA-N
XLogP3.69
TPSA94.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenoxy)-N-propan-2-yl-N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(4-butylphenoxy)-N-propan-2-yl-N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide (CID 71664037) is 2-(4-butylphenoxy)-N-propan-2-yl-N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-butylphenoxy)-N-propan-2-yl-N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(4-butylphenoxy)-N-propan-2-yl-N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide is CCCCc1ccc(OCC(=O)N(Cc2nc(-c3cnccn3)no2)C(C)C)cc1.
What is the InChIKey of 2-(4-butylphenoxy)-N-propan-2-yl-N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The InChIKey is MKIQVOYVLHTYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-4-5-6-17-7-9-18(10-8-17)29-15-21(28)27(16(2)3)14-20-25-22(26-30-20)19-13-23-11-12-24-19/h7-13,16H,4-6,14-15H2,1-3H3.
What are the key properties of 2-(4-butylphenoxy)-N-propan-2-yl-N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
2-(4-butylphenoxy)-N-propan-2-yl-N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide has a molecular weight of 409.49 g/mol, XLogP of 3.69, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenoxy)-N-propan-2-yl-N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 71664037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).