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

C21H20Cl2N2O2 — CID 55580379

IUPACN-[1-(3-chlorophenyl)ethyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
SMILESCC(c1cccc(Cl)c1)N(C)C(=O)CCc1ncc(-c2ccccc2Cl)o1
InChIInChI=1S/C21H20Cl2N2O2/c1-14(15-6-5-7-16(22)12-15)25(2)21(26)11-10-20-24-13-19(27-20)17-8-3-4-9-18(17)23/h3-9,12-14H,10-11H2,1-2H3
InChIKeyAGJYWNNHHCDXIF-UHFFFAOYSA-N
MW403.31 g/mol
LogP5.80
Rot. Bonds6

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

N-[1-(3-chlorophenyl)ethyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide (PubChem CID 55580379) has the molecular formula C21H20Cl2N2O2 and a molecular weight of 403.31 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
PubChem CID55580379
Molecular FormulaC21H20Cl2N2O2
Molecular Weight403.31 g/mol
Exact Mass402.09
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
SMILESCC(c1cccc(Cl)c1)N(C)C(=O)CCc1ncc(-c2ccccc2Cl)o1
InChIInChI=1S/C21H20Cl2N2O2/c1-14(15-6-5-7-16(22)12-15)25(2)21(26)11-10-20-24-13-19(27-20)17-8-3-4-9-18(17)23/h3-9,12-14H,10-11H2,1-2H3
InChIKeyAGJYWNNHHCDXIF-UHFFFAOYSA-N
XLogP5.80
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.31
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide (CID 55580379) is N-[1-(3-chlorophenyl)ethyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide is CC(c1cccc(Cl)c1)N(C)C(=O)CCc1ncc(-c2ccccc2Cl)o1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide?
The InChIKey is AGJYWNNHHCDXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N2O2/c1-14(15-6-5-7-16(22)12-15)25(2)21(26)11-10-20-24-13-19(27-20)17-8-3-4-9-18(17)23/h3-9,12-14H,10-11H2,1-2H3.
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide?
N-[1-(3-chlorophenyl)ethyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide has a molecular weight of 403.31 g/mol, XLogP of 5.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide is sourced from PubChem (CID 55580379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).