2-[(2,3-dichlorophenyl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C15H17Cl2N3O2 — CID 24506904

IUPAC2-[(2,3-dichlorophenyl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)C(C)N(C)Cc2cccc(Cl)c2Cl)no1
InChIInChI=1S/C15H17Cl2N3O2/c1-9-7-13(19-22-9)18-15(21)10(2)20(3)8-11-5-4-6-12(16)14(11)17/h4-7,10H,8H2,1-3H3,(H,18,19,21)
InChIKeyJZQOTWZSBBYHSI-UHFFFAOYSA-N
MW342.23 g/mol
LogP3.75
Rot. Bonds5

About 2-[(2,3-dichlorophenyl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

2-[(2,3-dichlorophenyl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 24506904) has the molecular formula C15H17Cl2N3O2 and a molecular weight of 342.23 g/mol. Its IUPAC name is 2-[(2,3-dichlorophenyl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name2-[(2,3-dichlorophenyl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID24506904
Molecular FormulaC15H17Cl2N3O2
Molecular Weight342.23 g/mol
Exact Mass341.07
IUPAC Name2-[(2,3-dichlorophenyl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)C(C)N(C)Cc2cccc(Cl)c2Cl)no1
InChIInChI=1S/C15H17Cl2N3O2/c1-9-7-13(19-22-9)18-15(21)10(2)20(3)8-11-5-4-6-12(16)14(11)17/h4-7,10H,8H2,1-3H3,(H,18,19,21)
InChIKeyJZQOTWZSBBYHSI-UHFFFAOYSA-N
XLogP3.75
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,3-dichlorophenyl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 24560962
2-[(3,5-dichlorophenyl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 119041165
N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide
CID 17454282
1-[(2-chlorophenyl)methyl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 47125477
2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 46561779
N-benzhydryl-2-[(2,3-dichlorophenyl)methyl-methylamino]propanamide
CID 42911455
(2R)-2-[(S)-(2-chlorophenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 95331521
2-[1-(2-chlorophenyl)ethyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 51282265
(2R)-2-[(S)-(2,6-dichlorophenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 52521050
N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propanamide
CID 135899797
2-[(2,3-dichlorophenyl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)propanamide
CID 46697394
(2R)-N-(tert-butylcarbamoyl)-2-[(2,3-dichlorophenyl)methyl-methylamino]propanamide
CID 40761168

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dichlorophenyl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 2-[(2,3-dichlorophenyl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 24506904) is 2-[(2,3-dichlorophenyl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 2-[(2,3-dichlorophenyl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 2-[(2,3-dichlorophenyl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)C(C)N(C)Cc2cccc(Cl)c2Cl)no1.
What is the InChIKey of 2-[(2,3-dichlorophenyl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is JZQOTWZSBBYHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3O2/c1-9-7-13(19-22-9)18-15(21)10(2)20(3)8-11-5-4-6-12(16)14(11)17/h4-7,10H,8H2,1-3H3,(H,18,19,21).
What are the key properties of 2-[(2,3-dichlorophenyl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
2-[(2,3-dichlorophenyl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 342.23 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dichlorophenyl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 24506904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).