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

C20H22N4O3 — CID 71663845

IUPAC2-(4-methylphenoxy)-N-propan-2-yl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCc1ccc(OCC(=O)N(Cc2nc(-c3ccncc3)no2)C(C)C)cc1
InChIInChI=1S/C20H22N4O3/c1-14(2)24(19(25)13-26-17-6-4-15(3)5-7-17)12-18-22-20(23-27-18)16-8-10-21-11-9-16/h4-11,14H,12-13H2,1-3H3
InChIKeyNDNHTHFQRHPXHG-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.26
Rot. Bonds7

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

2-(4-methylphenoxy)-N-propan-2-yl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide (PubChem CID 71663845) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-propan-2-yl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-propan-2-yl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
PubChem CID71663845
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name2-(4-methylphenoxy)-N-propan-2-yl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCc1ccc(OCC(=O)N(Cc2nc(-c3ccncc3)no2)C(C)C)cc1
InChIInChI=1S/C20H22N4O3/c1-14(2)24(19(25)13-26-17-6-4-15(3)5-7-17)12-18-22-20(23-27-18)16-8-10-21-11-9-16/h4-11,14H,12-13H2,1-3H3
InChIKeyNDNHTHFQRHPXHG-UHFFFAOYSA-N
XLogP3.26
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-propan-2-yl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-propan-2-yl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide (CID 71663845) is 2-(4-methylphenoxy)-N-propan-2-yl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-propan-2-yl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-propan-2-yl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide is Cc1ccc(OCC(=O)N(Cc2nc(-c3ccncc3)no2)C(C)C)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-propan-2-yl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The InChIKey is NDNHTHFQRHPXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-14(2)24(19(25)13-26-17-6-4-15(3)5-7-17)12-18-22-20(23-27-18)16-8-10-21-11-9-16/h4-11,14H,12-13H2,1-3H3.
What are the key properties of 2-(4-methylphenoxy)-N-propan-2-yl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
2-(4-methylphenoxy)-N-propan-2-yl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide has a molecular weight of 366.42 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-propan-2-yl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 71663845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).