2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]-N-(2-methylphenyl)acetamide

C22H26N4O3 — CID 38176839

IUPAC2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]-N-(2-methylphenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccccc1C)Cc1nc(-c2ccc(OC)cc2)no1
InChIInChI=1S/C22H26N4O3/c1-4-13-26(14-20(27)23-19-8-6-5-7-16(19)2)15-21-24-22(25-29-21)17-9-11-18(28-3)12-10-17/h5-12H,4,13-15H2,1-3H3,(H,23,27)
InChIKeyNDWCLFXKEBZROT-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.90
Rot. Bonds9

About 2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]-N-(2-methylphenyl)acetamide

2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]-N-(2-methylphenyl)acetamide (PubChem CID 38176839) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]-N-(2-methylphenyl)acetamide
PubChem CID38176839
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]-N-(2-methylphenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccccc1C)Cc1nc(-c2ccc(OC)cc2)no1
InChIInChI=1S/C22H26N4O3/c1-4-13-26(14-20(27)23-19-8-6-5-7-16(19)2)15-21-24-22(25-29-21)17-9-11-18(28-3)12-10-17/h5-12H,4,13-15H2,1-3H3,(H,23,27)
InChIKeyNDWCLFXKEBZROT-UHFFFAOYSA-N
XLogP3.90
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylphenyl)-2-[propyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide
CID 38176764
N-(2,3-dimethylphenyl)-2-[2-methoxyethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide
CID 17499316
N-(2-methoxyphenyl)-2-[propyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide
CID 51223786
2-[ethyl-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-N-propan-2-ylacetamide
CID 46650148
N-(2-ethylphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 20851576
N-(2,3-dimethylphenyl)-2-[2-methoxyethyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide
CID 24534482
N-(5-ethyl-2-methylphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110425375
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-dipropylacetamide
CID 110416420
3-tert-butyl-1-ethyl-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 8895859
N-(4-chloro-2-methylphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110420937
N-(4-methoxy-2-nitrophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide
CID 27221763
2-[(2-chloroquinolin-3-yl)methyl-propylamino]-N-(2-methylphenyl)acetamide
CID 8810094

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]-N-(2-methylphenyl)acetamide (CID 38176839) is 2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]-N-(2-methylphenyl)acetamide is CCCN(CC(=O)Nc1ccccc1C)Cc1nc(-c2ccc(OC)cc2)no1.
What is the InChIKey of 2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]-N-(2-methylphenyl)acetamide?
The InChIKey is NDWCLFXKEBZROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-4-13-26(14-20(27)23-19-8-6-5-7-16(19)2)15-21-24-22(25-29-21)17-9-11-18(28-3)12-10-17/h5-12H,4,13-15H2,1-3H3,(H,23,27).
What are the key properties of 2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]-N-(2-methylphenyl)acetamide?
2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]-N-(2-methylphenyl)acetamide has a molecular weight of 394.48 g/mol, XLogP of 3.90, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 38176839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).