2-(3-chlorophenoxy)-2-methyl-N-(1,2-oxazol-3-yl)propanamide

C13H13ClN2O3 — CID 25236389

IUPAC2-(3-chlorophenoxy)-2-methyl-N-(1,2-oxazol-3-yl)propanamide
SMILESCC(C)(Oc1cccc(Cl)c1)C(=O)Nc1ccon1
InChIInChI=1S/C13H13ClN2O3/c1-13(2,12(17)15-11-6-7-18-16-11)19-10-5-3-4-9(14)8-10/h3-8H,1-2H3,(H,15,16,17)
InChIKeyNQCHSJBMDOGPTE-UHFFFAOYSA-N
MW280.71 g/mol
LogP3.12
Rot. Bonds4

About 2-(3-chlorophenoxy)-2-methyl-N-(1,2-oxazol-3-yl)propanamide

2-(3-chlorophenoxy)-2-methyl-N-(1,2-oxazol-3-yl)propanamide (PubChem CID 25236389) has the molecular formula C13H13ClN2O3 and a molecular weight of 280.71 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-2-methyl-N-(1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-2-methyl-N-(1,2-oxazol-3-yl)propanamide
PubChem CID25236389
Molecular FormulaC13H13ClN2O3
Molecular Weight280.71 g/mol
Exact Mass280.06
IUPAC Name2-(3-chlorophenoxy)-2-methyl-N-(1,2-oxazol-3-yl)propanamide
SMILESCC(C)(Oc1cccc(Cl)c1)C(=O)Nc1ccon1
InChIInChI=1S/C13H13ClN2O3/c1-13(2,12(17)15-11-6-7-18-16-11)19-10-5-3-4-9(14)8-10/h3-8H,1-2H3,(H,15,16,17)
InChIKeyNQCHSJBMDOGPTE-UHFFFAOYSA-N
XLogP3.12
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-2-methyl-N-(1,2-oxazol-3-yl)propanamide
CID 104580759
2-(3-chlorophenoxy)-2-methylpropanoate
CID 7686050
N-[2-(3-chlorophenyl)benzotriazol-5-yl]-2-methyl-2-phenoxypropanamide
CID 30308346
2-(3-chlorophenoxy)-2-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]propanamide
CID 86965050
4-chloro-N-(1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 45497358
1-chloro-3-[(2-methylpropan-2-yl)oxy]benzene
CID 11298360
methyl 5-chloro-2-[[2-[3-(furan-3-yl)phenoxy]-2-methylpropanoyl]amino]benzoate
CID 66679964
5-chloro-2-[[2-[3-(furan-3-yl)phenoxy]-2-methylpropanoyl]amino]benzoic acid
CID 66680724
methyl 2-(1,2-oxazol-3-ylamino)-2-oxoacetate
CID 112617179
2-[[[2-(3-chlorophenoxy)-2-methylpropanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245356
3,5-dichloro-N-(1,2-oxazol-3-yl)benzamide
CID 17249127
2-(4-chlorophenoxy)-N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide
CID 17110968

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-2-methyl-N-(1,2-oxazol-3-yl)propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-2-methyl-N-(1,2-oxazol-3-yl)propanamide (CID 25236389) is 2-(3-chlorophenoxy)-2-methyl-N-(1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-2-methyl-N-(1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-2-methyl-N-(1,2-oxazol-3-yl)propanamide is CC(C)(Oc1cccc(Cl)c1)C(=O)Nc1ccon1.
What is the InChIKey of 2-(3-chlorophenoxy)-2-methyl-N-(1,2-oxazol-3-yl)propanamide?
The InChIKey is NQCHSJBMDOGPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3/c1-13(2,12(17)15-11-6-7-18-16-11)19-10-5-3-4-9(14)8-10/h3-8H,1-2H3,(H,15,16,17).
What are the key properties of 2-(3-chlorophenoxy)-2-methyl-N-(1,2-oxazol-3-yl)propanamide?
2-(3-chlorophenoxy)-2-methyl-N-(1,2-oxazol-3-yl)propanamide has a molecular weight of 280.71 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-2-methyl-N-(1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 25236389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).