N-[2-(3-chlorophenoxy)ethyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide

C21H20Cl2N2O3 — CID 29480822

IUPACN-[2-(3-chlorophenoxy)ethyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
SMILESCN(CCOc1cccc(Cl)c1)C(=O)CCc1ncc(-c2ccccc2Cl)o1
InChIInChI=1S/C21H20Cl2N2O3/c1-25(11-12-27-16-6-4-5-15(22)13-16)21(26)10-9-20-24-14-19(28-20)17-7-2-3-8-18(17)23/h2-8,13-14H,9-12H2,1H3
InChIKeyULYPUNHHDWHWCM-UHFFFAOYSA-N
MW419.31 g/mol
LogP5.12
Rot. Bonds8

About N-[2-(3-chlorophenoxy)ethyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide

N-[2-(3-chlorophenoxy)ethyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide (PubChem CID 29480822) has the molecular formula C21H20Cl2N2O3 and a molecular weight of 419.31 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)ethyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)ethyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
PubChem CID29480822
Molecular FormulaC21H20Cl2N2O3
Molecular Weight419.31 g/mol
Exact Mass418.09
IUPAC NameN-[2-(3-chlorophenoxy)ethyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
SMILESCN(CCOc1cccc(Cl)c1)C(=O)CCc1ncc(-c2ccccc2Cl)o1
InChIInChI=1S/C21H20Cl2N2O3/c1-25(11-12-27-16-6-4-5-15(22)13-16)21(26)10-9-20-24-14-19(28-20)17-7-2-3-8-18(17)23/h2-8,13-14H,9-12H2,1H3
InChIKeyULYPUNHHDWHWCM-UHFFFAOYSA-N
XLogP5.12
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.31
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chlorophenyl)methyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 18135934
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxyethyl)-N-methylpropanamide
CID 110886031
N-[1-(3-chlorophenyl)ethyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 55580379
N-[2-(3-chlorophenoxy)ethyl]-5-(2-chlorophenyl)-N-methylfuran-2-carboxamide
CID 18277180
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 18157368
N-benzyl-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 29413645
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]propanamide
CID 24651784
5-[2-(3-chlorophenoxy)ethyl-methylamino]-5-oxopentanoic acid
CID 60954113
2-[3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanoyl-methylamino]acetic acid
CID 119136390
3-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl-propan-2-ylamino]propanoic acid
CID 119207152
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-phenoxypropyl)propanamide
CID 18137997
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 30890026

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide?
The IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide (CID 29480822) is N-[2-(3-chlorophenoxy)ethyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide.
What is the SMILES notation for N-[2-(3-chlorophenoxy)ethyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide?
The canonical SMILES for N-[2-(3-chlorophenoxy)ethyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide is CN(CCOc1cccc(Cl)c1)C(=O)CCc1ncc(-c2ccccc2Cl)o1.
What is the InChIKey of N-[2-(3-chlorophenoxy)ethyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide?
The InChIKey is ULYPUNHHDWHWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N2O3/c1-25(11-12-27-16-6-4-5-15(22)13-16)21(26)10-9-20-24-14-19(28-20)17-7-2-3-8-18(17)23/h2-8,13-14H,9-12H2,1H3.
What are the key properties of N-[2-(3-chlorophenoxy)ethyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide?
N-[2-(3-chlorophenoxy)ethyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide has a molecular weight of 419.31 g/mol, XLogP of 5.12, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenoxy)ethyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide is sourced from PubChem (CID 29480822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).