(2S)-2-(3,5-dimethylphenoxy)-N-(4-methyl-1,2,5-oxadiazol-3-yl)propanamide

C14H17N3O3 — CID 35043589

IUPAC(2S)-2-(3,5-dimethylphenoxy)-N-(4-methyl-1,2,5-oxadiazol-3-yl)propanamide
SMILESCc1cc(C)cc(O[C@@H](C)C(=O)Nc2nonc2C)c1
InChIInChI=1S/C14H17N3O3/c1-8-5-9(2)7-12(6-8)19-11(4)14(18)15-13-10(3)16-20-17-13/h5-7,11H,1-4H3,(H,15,17,18)/t11-/m0/s1
InChIKeyBVSCLFURHPJIPB-NSHDSACASA-N
MW275.31 g/mol
LogP2.40
Rot. Bonds4

About (2S)-2-(3,5-dimethylphenoxy)-N-(4-methyl-1,2,5-oxadiazol-3-yl)propanamide

(2S)-2-(3,5-dimethylphenoxy)-N-(4-methyl-1,2,5-oxadiazol-3-yl)propanamide (PubChem CID 35043589) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is (2S)-2-(3,5-dimethylphenoxy)-N-(4-methyl-1,2,5-oxadiazol-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3,5-dimethylphenoxy)-N-(4-methyl-1,2,5-oxadiazol-3-yl)propanamide
PubChem CID35043589
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name(2S)-2-(3,5-dimethylphenoxy)-N-(4-methyl-1,2,5-oxadiazol-3-yl)propanamide
SMILESCc1cc(C)cc(O[C@@H](C)C(=O)Nc2nonc2C)c1
InChIInChI=1S/C14H17N3O3/c1-8-5-9(2)7-12(6-8)19-11(4)14(18)15-13-10(3)16-20-17-13/h5-7,11H,1-4H3,(H,15,17,18)/t11-/m0/s1
InChIKeyBVSCLFURHPJIPB-NSHDSACASA-N
XLogP2.40
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]propanamide
CID 19244551
2-(3,5-dimethylphenoxy)-N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide
CID 17014594
2-(3,5-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 53266252
2-(3,5-dimethylphenoxy)propanehydrazide
CID 2758585
2-(3,5-dimethylphenoxy)-N-(3-phenyl-1,2-oxazol-5-yl)propanamide
CID 17013983
(2R)-2-(3,5-dimethylphenoxy)-N-(4-fluorophenyl)propanamide
CID 9173132
(2S)-2-(3,5-dimethylphenoxy)-N-(2,4-dimethylphenyl)propanamide
CID 889131
(2R)-N-(3-acetamidophenyl)-2-(3,5-dimethylphenoxy)propanamide
CID 29464050
(2R)-2-(3,5-dimethylphenoxy)-N-[(2S)-3-methylbutan-2-yl]propanamide
CID 100569884
(2S)-N-(2,6-dichlorophenyl)-2-(3,5-dimethylphenoxy)propanamide
CID 9180357
(2S)-2-(3,5-dimethylphenoxy)-N-(2-methylpropyl)propanamide
CID 9181944
(2S)-N-(3,5-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 2168120

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,5-dimethylphenoxy)-N-(4-methyl-1,2,5-oxadiazol-3-yl)propanamide?
The IUPAC name of (2S)-2-(3,5-dimethylphenoxy)-N-(4-methyl-1,2,5-oxadiazol-3-yl)propanamide (CID 35043589) is (2S)-2-(3,5-dimethylphenoxy)-N-(4-methyl-1,2,5-oxadiazol-3-yl)propanamide.
What is the SMILES notation for (2S)-2-(3,5-dimethylphenoxy)-N-(4-methyl-1,2,5-oxadiazol-3-yl)propanamide?
The canonical SMILES for (2S)-2-(3,5-dimethylphenoxy)-N-(4-methyl-1,2,5-oxadiazol-3-yl)propanamide is Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2nonc2C)c1.
What is the InChIKey of (2S)-2-(3,5-dimethylphenoxy)-N-(4-methyl-1,2,5-oxadiazol-3-yl)propanamide?
The InChIKey is BVSCLFURHPJIPB-NSHDSACASA-N. The full InChI is InChI=1S/C14H17N3O3/c1-8-5-9(2)7-12(6-8)19-11(4)14(18)15-13-10(3)16-20-17-13/h5-7,11H,1-4H3,(H,15,17,18)/t11-/m0/s1.
What are the key properties of (2S)-2-(3,5-dimethylphenoxy)-N-(4-methyl-1,2,5-oxadiazol-3-yl)propanamide?
(2S)-2-(3,5-dimethylphenoxy)-N-(4-methyl-1,2,5-oxadiazol-3-yl)propanamide has a molecular weight of 275.31 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,5-dimethylphenoxy)-N-(4-methyl-1,2,5-oxadiazol-3-yl)propanamide is sourced from PubChem (CID 35043589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).