(2R)-N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2,4-dichlorophenoxy)propanamide

C16H18Cl2N2O3 — CID 35524710

IUPAC(2R)-N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2,4-dichlorophenoxy)propanamide
SMILESC[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc(C(C)(C)C)on1
InChIInChI=1S/C16H18Cl2N2O3/c1-9(22-12-6-5-10(17)7-11(12)18)15(21)19-14-8-13(23-20-14)16(2,3)4/h5-9H,1-4H3,(H,19,20,21)/t9-/m1/s1
InChIKeyWXEQVUBUFRPKKL-SECBINFHSA-N
MW357.24 g/mol
LogP4.68
Rot. Bonds4

About (2R)-N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2,4-dichlorophenoxy)propanamide

(2R)-N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2,4-dichlorophenoxy)propanamide (PubChem CID 35524710) has the molecular formula C16H18Cl2N2O3 and a molecular weight of 357.24 g/mol. Its IUPAC name is (2R)-N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2,4-dichlorophenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2,4-dichlorophenoxy)propanamide
PubChem CID35524710
Molecular FormulaC16H18Cl2N2O3
Molecular Weight357.24 g/mol
Exact Mass356.07
IUPAC Name(2R)-N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2,4-dichlorophenoxy)propanamide
SMILESC[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc(C(C)(C)C)on1
InChIInChI=1S/C16H18Cl2N2O3/c1-9(22-12-6-5-10(17)7-11(12)18)15(21)19-14-8-13(23-20-14)16(2,3)4/h5-9H,1-4H3,(H,19,20,21)/t9-/m1/s1
InChIKeyWXEQVUBUFRPKKL-SECBINFHSA-N
XLogP4.68
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.24
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-(2,4-dichlorophenoxy)propanamide
CID 2939243
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,4-dimethylphenoxy)propanamide
CID 27232500
(2S)-2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylpropanamide
CID 672613
(2R)-N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 1010932
N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]-2-methylpropanamide
CID 1293450
(2R)-2-(2-chloro-4-fluorophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 40972075
2-(2,4-dichlorophenoxy)-N-(4,6-dichloropyrimidin-2-yl)propanamide
CID 141112918
2-(2,4-dichlorophenoxy)-N-[(2-methylpropan-2-yl)oxy]propanamide
CID 82724609
(2S)-2-(2,4-dichlorophenoxy)-N-quinolin-2-ylpropanamide
CID 1075192
(2S)-2-(2,4-dichlorophenoxy)-N-(5-iodo-6-methyl-2-pyridinyl)propanamide
CID 2233489
2-(2,4-dichlorophenoxy)-N-(2,3,4,5,6-pentafluorophenyl)propanamide
CID 4249290
(2R)-2-(2,4-dichlorophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 1335441

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2,4-dichlorophenoxy)propanamide?
The IUPAC name of (2R)-N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2,4-dichlorophenoxy)propanamide (CID 35524710) is (2R)-N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2,4-dichlorophenoxy)propanamide.
What is the SMILES notation for (2R)-N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2,4-dichlorophenoxy)propanamide?
The canonical SMILES for (2R)-N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2,4-dichlorophenoxy)propanamide is C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc(C(C)(C)C)on1.
What is the InChIKey of (2R)-N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2,4-dichlorophenoxy)propanamide?
The InChIKey is WXEQVUBUFRPKKL-SECBINFHSA-N. The full InChI is InChI=1S/C16H18Cl2N2O3/c1-9(22-12-6-5-10(17)7-11(12)18)15(21)19-14-8-13(23-20-14)16(2,3)4/h5-9H,1-4H3,(H,19,20,21)/t9-/m1/s1.
What are the key properties of (2R)-N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2,4-dichlorophenoxy)propanamide?
(2R)-N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2,4-dichlorophenoxy)propanamide has a molecular weight of 357.24 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2,4-dichlorophenoxy)propanamide is sourced from PubChem (CID 35524710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).