1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine

C22H25ClN4O2 — CID 47012873

IUPAC1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine
SMILESCC(c1nnc(-c2cccc(Cl)c2)o1)N(C)Cc1ccccc1N1CCOCC1
InChIInChI=1S/C22H25ClN4O2/c1-16(21-24-25-22(29-21)17-7-5-8-19(23)14-17)26(2)15-18-6-3-4-9-20(18)27-10-12-28-13-11-27/h3-9,14,16H,10-13,15H2,1-2H3
InChIKeyKOUJHEBQFWRXPN-UHFFFAOYSA-N
MW412.92 g/mol
LogP4.42
Rot. Bonds6

About 1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine

1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine (PubChem CID 47012873) has the molecular formula C22H25ClN4O2 and a molecular weight of 412.92 g/mol. Its IUPAC name is 1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine
PubChem CID47012873
Molecular FormulaC22H25ClN4O2
Molecular Weight412.92 g/mol
Exact Mass412.17
IUPAC Name1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine
SMILESCC(c1nnc(-c2cccc(Cl)c2)o1)N(C)Cc1ccccc1N1CCOCC1
InChIInChI=1S/C22H25ClN4O2/c1-16(21-24-25-22(29-21)17-7-5-8-19(23)14-17)26(2)15-18-6-3-4-9-20(18)27-10-12-28-13-11-27/h3-9,14,16H,10-13,15H2,1-2H3
InChIKeyKOUJHEBQFWRXPN-UHFFFAOYSA-N
XLogP4.42
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine?
The IUPAC name of 1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine (CID 47012873) is 1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine.
What is the SMILES notation for 1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine?
The canonical SMILES for 1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine is CC(c1nnc(-c2cccc(Cl)c2)o1)N(C)Cc1ccccc1N1CCOCC1.
What is the InChIKey of 1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine?
The InChIKey is KOUJHEBQFWRXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O2/c1-16(21-24-25-22(29-21)17-7-5-8-19(23)14-17)26(2)15-18-6-3-4-9-20(18)27-10-12-28-13-11-27/h3-9,14,16H,10-13,15H2,1-2H3.
What are the key properties of 1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine?
1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine has a molecular weight of 412.92 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine is sourced from PubChem (CID 47012873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).