N-(1,3-benzodioxol-5-ylmethyl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide

C20H16Cl2N2O4 — CID 16590219

IUPACN-(1,3-benzodioxol-5-ylmethyl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESO=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C20H16Cl2N2O4/c21-13-2-3-14(15(22)8-13)18-10-24-20(28-18)6-5-19(25)23-9-12-1-4-16-17(7-12)27-11-26-16/h1-4,7-8,10H,5-6,9,11H2,(H,23,25)
InChIKeyRSWBLOHAOFXPES-UHFFFAOYSA-N
MW419.26 g/mol
LogP4.63
Rot. Bonds6

About N-(1,3-benzodioxol-5-ylmethyl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide

N-(1,3-benzodioxol-5-ylmethyl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 16590219) has the molecular formula C20H16Cl2N2O4 and a molecular weight of 419.26 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID16590219
Molecular FormulaC20H16Cl2N2O4
Molecular Weight419.26 g/mol
Exact Mass418.05
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESO=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C20H16Cl2N2O4/c21-13-2-3-14(15(22)8-13)18-10-24-20(28-18)6-5-19(25)23-9-12-1-4-16-17(7-12)27-11-26-16/h1-4,7-8,10H,5-6,9,11H2,(H,23,25)
InChIKeyRSWBLOHAOFXPES-UHFFFAOYSA-N
XLogP4.63
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.26
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590238
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 17444318
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 134036129
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propanamide
CID 46418733
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 29416058
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide
CID 33103637
N-[(3-chlorophenyl)methyl]-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16591216
N-(4-acetamidophenyl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590165
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 30102896
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-(2-oxoazepan-1-yl)ethyl]propanamide
CID 39514221
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-pyridin-2-ylpropanamide
CID 51312308
N-(1,3-benzodioxol-5-ylmethyl)-4-(3,4-dichlorophenyl)butanamide
CID 55833674

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide (CID 16590219) is N-(1,3-benzodioxol-5-ylmethyl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide is O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is RSWBLOHAOFXPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O4/c21-13-2-3-14(15(22)8-13)18-10-24-20(28-18)6-5-19(25)23-9-12-1-4-16-17(7-12)27-11-26-16/h1-4,7-8,10H,5-6,9,11H2,(H,23,25).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide?
N-(1,3-benzodioxol-5-ylmethyl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 419.26 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 16590219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).