2-(3,5-dimethylphenoxy)-N-(3-phenyl-1,2-oxazol-5-yl)propanamide

C20H20N2O3 — CID 17013983

IUPAC2-(3,5-dimethylphenoxy)-N-(3-phenyl-1,2-oxazol-5-yl)propanamide
SMILESCc1cc(C)cc(OC(C)C(=O)Nc2cc(-c3ccccc3)no2)c1
InChIInChI=1S/C20H20N2O3/c1-13-9-14(2)11-17(10-13)24-15(3)20(23)21-19-12-18(22-25-19)16-7-5-4-6-8-16/h4-12,15H,1-3H3,(H,21,23)
InChIKeySATQFJCISSIVCJ-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.36
Rot. Bonds5

About 2-(3,5-dimethylphenoxy)-N-(3-phenyl-1,2-oxazol-5-yl)propanamide

2-(3,5-dimethylphenoxy)-N-(3-phenyl-1,2-oxazol-5-yl)propanamide (PubChem CID 17013983) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-(3-phenyl-1,2-oxazol-5-yl)propanamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-(3-phenyl-1,2-oxazol-5-yl)propanamide
PubChem CID17013983
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name2-(3,5-dimethylphenoxy)-N-(3-phenyl-1,2-oxazol-5-yl)propanamide
SMILESCc1cc(C)cc(OC(C)C(=O)Nc2cc(-c3ccccc3)no2)c1
InChIInChI=1S/C20H20N2O3/c1-13-9-14(2)11-17(10-13)24-15(3)20(23)21-19-12-18(22-25-19)16-7-5-4-6-8-16/h4-12,15H,1-3H3,(H,21,23)
InChIKeySATQFJCISSIVCJ-UHFFFAOYSA-N
XLogP4.36
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenoxy)-N-(3-phenyl-1,2-oxazol-5-yl)propanamide
CID 17013988
(2R)-N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-(2-fluorophenoxy)propanamide
CID 35042818
2-(3,5-dimethylphenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]propanamide
CID 122261861
(2S)-2-(3,5-dimethylphenoxy)-N-(4-methyl-1,2,5-oxadiazol-3-yl)propanamide
CID 35043589
(2R)-2-(2-bromophenoxy)-N-[3-(1-methylimidazol-2-yl)-1,2-oxazol-5-yl]propanamide
CID 97065455
(2S)-2-(3-methylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 2640444
(2R)-N-(3-acetamidophenyl)-2-(3,5-dimethylphenoxy)propanamide
CID 29464050
(2R)-N-(3-bromophenyl)-2-(3,5-dimethylphenoxy)propanamide
CID 1225320
2-(3,5-dimethylphenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
CID 17165615
N-(2-benzylpyrazol-3-yl)-2-(3,5-dimethylphenoxy)propanamide
CID 45155186
(2S)-N-(2,6-dichlorophenyl)-2-(3,5-dimethylphenoxy)propanamide
CID 9180357
2-(3,5-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 53266252

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-(3-phenyl-1,2-oxazol-5-yl)propanamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-(3-phenyl-1,2-oxazol-5-yl)propanamide (CID 17013983) is 2-(3,5-dimethylphenoxy)-N-(3-phenyl-1,2-oxazol-5-yl)propanamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-(3-phenyl-1,2-oxazol-5-yl)propanamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-(3-phenyl-1,2-oxazol-5-yl)propanamide is Cc1cc(C)cc(OC(C)C(=O)Nc2cc(-c3ccccc3)no2)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-(3-phenyl-1,2-oxazol-5-yl)propanamide?
The InChIKey is SATQFJCISSIVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-13-9-14(2)11-17(10-13)24-15(3)20(23)21-19-12-18(22-25-19)16-7-5-4-6-8-16/h4-12,15H,1-3H3,(H,21,23).
What are the key properties of 2-(3,5-dimethylphenoxy)-N-(3-phenyl-1,2-oxazol-5-yl)propanamide?
2-(3,5-dimethylphenoxy)-N-(3-phenyl-1,2-oxazol-5-yl)propanamide has a molecular weight of 336.39 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-(3-phenyl-1,2-oxazol-5-yl)propanamide is sourced from PubChem (CID 17013983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).