N-(2,4-dichlorophenyl)-3-(2-methyl-1,3-oxazol-4-yl)propanamide

C13H12Cl2N2O2 — CID 110679355

IUPACN-(2,4-dichlorophenyl)-3-(2-methyl-1,3-oxazol-4-yl)propanamide
SMILESCc1nc(CCC(=O)Nc2ccc(Cl)cc2Cl)co1
InChIInChI=1S/C13H12Cl2N2O2/c1-8-16-10(7-19-8)3-5-13(18)17-12-4-2-9(14)6-11(12)15/h2,4,6-7H,3,5H2,1H3,(H,17,18)
InChIKeyLBBHGBDZLRBZQR-UHFFFAOYSA-N
MW299.16 g/mol
LogP3.86
Rot. Bonds4

About N-(2,4-dichlorophenyl)-3-(2-methyl-1,3-oxazol-4-yl)propanamide

N-(2,4-dichlorophenyl)-3-(2-methyl-1,3-oxazol-4-yl)propanamide (PubChem CID 110679355) has the molecular formula C13H12Cl2N2O2 and a molecular weight of 299.16 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-3-(2-methyl-1,3-oxazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-3-(2-methyl-1,3-oxazol-4-yl)propanamide
PubChem CID110679355
Molecular FormulaC13H12Cl2N2O2
Molecular Weight299.16 g/mol
Exact Mass298.03
IUPAC NameN-(2,4-dichlorophenyl)-3-(2-methyl-1,3-oxazol-4-yl)propanamide
SMILESCc1nc(CCC(=O)Nc2ccc(Cl)cc2Cl)co1
InChIInChI=1S/C13H12Cl2N2O2/c1-8-16-10(7-19-8)3-5-13(18)17-12-4-2-9(14)6-11(12)15/h2,4,6-7H,3,5H2,1H3,(H,17,18)
InChIKeyLBBHGBDZLRBZQR-UHFFFAOYSA-N
XLogP3.86
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dichlorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide
CID 110332846
N-(2,4-dimethylphenyl)-3-(2-methyl-1,3-oxazol-4-yl)propanamide
CID 110679261
N-(2-aminophenyl)-3-(2-methyl-1,3-oxazol-4-yl)propanamide
CID 144720042
N-(2,4-dichlorophenyl)propanamide
CID 923083
methyl 4-(2,4-dichloroanilino)-4-oxobutanoate
CID 823383
ethyl 2-[3-(2-methyl-1,3-oxazol-4-yl)propanoylamino]benzoate
CID 110679362
N-(4-chloro-2-methylphenyl)-N'-(2,4-dichlorophenyl)propanediamide
CID 108955225
N-(2,4-dichlorophenyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 35591649
N-(5-chloro-2-methylphenyl)-3-(1,3-oxazol-4-yl)propanamide
CID 110679070
N-(2,4-dichlorophenyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
CID 24502572
2-(2,4-dichloroanilino)-N-(2,4-dichlorophenyl)acetamide
CID 54811499
5-chloro-N-(2,4-dichlorophenyl)pentanamide
CID 28727917

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-3-(2-methyl-1,3-oxazol-4-yl)propanamide?
The IUPAC name of N-(2,4-dichlorophenyl)-3-(2-methyl-1,3-oxazol-4-yl)propanamide (CID 110679355) is N-(2,4-dichlorophenyl)-3-(2-methyl-1,3-oxazol-4-yl)propanamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-3-(2-methyl-1,3-oxazol-4-yl)propanamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-3-(2-methyl-1,3-oxazol-4-yl)propanamide is Cc1nc(CCC(=O)Nc2ccc(Cl)cc2Cl)co1.
What is the InChIKey of N-(2,4-dichlorophenyl)-3-(2-methyl-1,3-oxazol-4-yl)propanamide?
The InChIKey is LBBHGBDZLRBZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2/c1-8-16-10(7-19-8)3-5-13(18)17-12-4-2-9(14)6-11(12)15/h2,4,6-7H,3,5H2,1H3,(H,17,18).
What are the key properties of N-(2,4-dichlorophenyl)-3-(2-methyl-1,3-oxazol-4-yl)propanamide?
N-(2,4-dichlorophenyl)-3-(2-methyl-1,3-oxazol-4-yl)propanamide has a molecular weight of 299.16 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-3-(2-methyl-1,3-oxazol-4-yl)propanamide is sourced from PubChem (CID 110679355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).