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

C19H20N4O4 — CID 66551535

IUPAC2-(4-hydroxyphenoxy)-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(O)cc1
InChIInChI=1S/C19H20N4O4/c1-13(2)23(18(25)12-26-16-7-5-15(24)6-8-16)11-17-21-19(22-27-17)14-4-3-9-20-10-14/h3-10,13,24H,11-12H2,1-2H3
InChIKeyAOUBBKGOMJMAOF-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.65
Rot. Bonds7

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

2-(4-hydroxyphenoxy)-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide (PubChem CID 66551535) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-(4-hydroxyphenoxy)-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-hydroxyphenoxy)-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
PubChem CID66551535
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name2-(4-hydroxyphenoxy)-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(O)cc1
InChIInChI=1S/C19H20N4O4/c1-13(2)23(18(25)12-26-16-7-5-15(24)6-8-16)11-17-21-19(22-27-17)14-4-3-9-20-10-14/h3-10,13,24H,11-12H2,1-2H3
InChIKeyAOUBBKGOMJMAOF-UHFFFAOYSA-N
XLogP2.65
TPSA101.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenoxy)-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(4-hydroxyphenoxy)-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide (CID 66551535) is 2-(4-hydroxyphenoxy)-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-hydroxyphenoxy)-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(4-hydroxyphenoxy)-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(O)cc1.
What is the InChIKey of 2-(4-hydroxyphenoxy)-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The InChIKey is AOUBBKGOMJMAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-13(2)23(18(25)12-26-16-7-5-15(24)6-8-16)11-17-21-19(22-27-17)14-4-3-9-20-10-14/h3-10,13,24H,11-12H2,1-2H3.
What are the key properties of 2-(4-hydroxyphenoxy)-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
2-(4-hydroxyphenoxy)-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide has a molecular weight of 368.39 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenoxy)-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 66551535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).