2-(3,5-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]propanamide

C21H23N3O3 — CID 19244551

IUPAC2-(3,5-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]propanamide
SMILESCc1cc(C)cc(OC(C)C(=O)Nc2nonc2-c2cc(C)ccc2C)c1
InChIInChI=1S/C21H23N3O3/c1-12-6-7-15(4)18(11-12)19-20(24-27-23-19)22-21(25)16(5)26-17-9-13(2)8-14(3)10-17/h6-11,16H,1-5H3,(H,22,24,25)
InChIKeyHXECYIJMMNTDCA-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.38
Rot. Bonds5

About 2-(3,5-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]propanamide

2-(3,5-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]propanamide (PubChem CID 19244551) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]propanamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]propanamide
PubChem CID19244551
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name2-(3,5-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]propanamide
SMILESCc1cc(C)cc(OC(C)C(=O)Nc2nonc2-c2cc(C)ccc2C)c1
InChIInChI=1S/C21H23N3O3/c1-12-6-7-15(4)18(11-12)19-20(24-27-23-19)22-21(25)16(5)26-17-9-13(2)8-14(3)10-17/h6-11,16H,1-5H3,(H,22,24,25)
InChIKeyHXECYIJMMNTDCA-UHFFFAOYSA-N
XLogP4.38
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(3,5-dimethylphenoxy)-N-(4-methyl-1,2,5-oxadiazol-3-yl)propanamide
CID 35043589
2-(3,5-dimethylphenoxy)-N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide
CID 17014594
N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2,2-diphenylacetamide
CID 19244584
N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-3-methylbutanamide
CID 19244562
N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-methylphenoxy)acetamide
CID 19244508
N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-propan-2-ylphenoxy)propanamide
CID 19244469
(2S)-N-[4-(3,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-propan-2-ylphenoxy)propanamide
CID 34953133
(2R)-2-(3,4-dimethylphenoxy)-N-[4-(4-ethoxyphenyl)-1,2,5-oxadiazol-3-yl]propanamide
CID 40871934
(2S)-2-(3,5-dimethylphenoxy)-N-(2,4-dimethylphenyl)propanamide
CID 889131
N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2-methylbenzamide
CID 19244494
(E)-N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-3-(4-methylphenyl)prop-2-enamide
CID 19244514
N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]pentanamide
CID 19244563

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]propanamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]propanamide (CID 19244551) is 2-(3,5-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]propanamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]propanamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]propanamide is Cc1cc(C)cc(OC(C)C(=O)Nc2nonc2-c2cc(C)ccc2C)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]propanamide?
The InChIKey is HXECYIJMMNTDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-12-6-7-15(4)18(11-12)19-20(24-27-23-19)22-21(25)16(5)26-17-9-13(2)8-14(3)10-17/h6-11,16H,1-5H3,(H,22,24,25).
What are the key properties of 2-(3,5-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]propanamide?
2-(3,5-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]propanamide has a molecular weight of 365.43 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]propanamide is sourced from PubChem (CID 19244551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).