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

C22H18N4O3 — CID 30331126

IUPAC2-(3-methylphenoxy)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
SMILESCc1cccc(OCC(=O)Nc2ccccc2-c2nc(-c3cccnc3)no2)c1
InChIInChI=1S/C22H18N4O3/c1-15-6-4-8-17(12-15)28-14-20(27)24-19-10-3-2-9-18(19)22-25-21(26-29-22)16-7-5-11-23-13-16/h2-13H,14H2,1H3,(H,24,27)
InChIKeyOOGLVAXJTIPVGD-UHFFFAOYSA-N
MW386.41 g/mol
LogP4.12
Rot. Bonds6

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

2-(3-methylphenoxy)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide (PubChem CID 30331126) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
PubChem CID30331126
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC Name2-(3-methylphenoxy)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
SMILESCc1cccc(OCC(=O)Nc2ccccc2-c2nc(-c3cccnc3)no2)c1
InChIInChI=1S/C22H18N4O3/c1-15-6-4-8-17(12-15)28-14-20(27)24-19-10-3-2-9-18(19)22-25-21(26-29-22)16-7-5-11-23-13-16/h2-13H,14H2,1H3,(H,24,27)
InChIKeyOOGLVAXJTIPVGD-UHFFFAOYSA-N
XLogP4.12
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methylphenoxy)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 20896070
2-(4-bromophenoxy)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 30331599
2-phenoxy-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 4896404
2-(3,5-dimethylphenoxy)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 30331365
N-(3-methylphenyl)-2-[3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 45032399
6-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]pyridine-3-carboxamide
CID 30334607
2-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]propanamide
CID 30333177
N-(2,3-dimethylphenyl)-2-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 50746105
2-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide
CID 45032388
methyl 4-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]anilino]-4-oxobutanoate
CID 46266834
2-(4-bromophenoxy)-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 30331603
2-(3,4-dimethylphenoxy)-N-[2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 30331308

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide (CID 30331126) is 2-(3-methylphenoxy)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide is Cc1cccc(OCC(=O)Nc2ccccc2-c2nc(-c3cccnc3)no2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide?
The InChIKey is OOGLVAXJTIPVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c1-15-6-4-8-17(12-15)28-14-20(27)24-19-10-3-2-9-18(19)22-25-21(26-29-22)16-7-5-11-23-13-16/h2-13H,14H2,1H3,(H,24,27).
What are the key properties of 2-(3-methylphenoxy)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide?
2-(3-methylphenoxy)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide has a molecular weight of 386.41 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 30331126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).