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

C19H19ClN4O3 — CID 71661326

IUPAC2-(4-chlorophenoxy)-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCC(C)N(Cc1nc(-c2cccnc2)no1)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN4O3/c1-13(2)24(18(25)12-26-16-7-5-15(20)6-8-16)11-17-22-19(23-27-17)14-4-3-9-21-10-14/h3-10,13H,11-12H2,1-2H3
InChIKeyOJOQWJWLAOVKFS-UHFFFAOYSA-N
MW386.84 g/mol
LogP3.60
Rot. Bonds7

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

2-(4-chlorophenoxy)-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide (PubChem CID 71661326) has the molecular formula C19H19ClN4O3 and a molecular weight of 386.84 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
PubChem CID71661326
Molecular FormulaC19H19ClN4O3
Molecular Weight386.84 g/mol
Exact Mass386.11
IUPAC Name2-(4-chlorophenoxy)-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCC(C)N(Cc1nc(-c2cccnc2)no1)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN4O3/c1-13(2)24(18(25)12-26-16-7-5-15(20)6-8-16)11-17-22-19(23-27-17)14-4-3-9-21-10-14/h3-10,13H,11-12H2,1-2H3
InChIKeyOJOQWJWLAOVKFS-UHFFFAOYSA-N
XLogP3.60
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide (CID 71661326) is 2-(4-chlorophenoxy)-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-chlorophenoxy)-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide is CC(C)N(Cc1nc(-c2cccnc2)no1)C(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The InChIKey is OJOQWJWLAOVKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O3/c1-13(2)24(18(25)12-26-16-7-5-15(20)6-8-16)11-17-22-19(23-27-17)14-4-3-9-21-10-14/h3-10,13H,11-12H2,1-2H3.
What are the key properties of 2-(4-chlorophenoxy)-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
2-(4-chlorophenoxy)-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide has a molecular weight of 386.84 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 71661326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).