3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine

C19H20ClN5O2 — CID 83278185

IUPAC3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine
SMILESClc1ccc(-c2nnc(-c3cccnc3NCCN3CCOCC3)o2)cc1
InChIInChI=1S/C19H20ClN5O2/c20-15-5-3-14(4-6-15)18-23-24-19(27-18)16-2-1-7-21-17(16)22-8-9-25-10-12-26-13-11-25/h1-7H,8-13H2,(H,21,22)
InChIKeyNQNTWAHPDJJNIY-UHFFFAOYSA-N
MW385.86 g/mol
LogP3.20
Rot. Bonds6

About 3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine

3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine (PubChem CID 83278185) has the molecular formula C19H20ClN5O2 and a molecular weight of 385.86 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine
PubChem CID83278185
Molecular FormulaC19H20ClN5O2
Molecular Weight385.86 g/mol
Exact Mass385.13
IUPAC Name3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine
SMILESClc1ccc(-c2nnc(-c3cccnc3NCCN3CCOCC3)o2)cc1
InChIInChI=1S/C19H20ClN5O2/c20-15-5-3-14(4-6-15)18-23-24-19(27-18)16-2-1-7-21-17(16)22-8-9-25-10-12-26-13-11-25/h1-7H,8-13H2,(H,21,22)
InChIKeyNQNTWAHPDJJNIY-UHFFFAOYSA-N
XLogP3.20
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.86
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine?
The IUPAC name of 3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine (CID 83278185) is 3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine.
What is the SMILES notation for 3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine?
The canonical SMILES for 3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine is Clc1ccc(-c2nnc(-c3cccnc3NCCN3CCOCC3)o2)cc1.
What is the InChIKey of 3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine?
The InChIKey is NQNTWAHPDJJNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O2/c20-15-5-3-14(4-6-15)18-23-24-19(27-18)16-2-1-7-21-17(16)22-8-9-25-10-12-26-13-11-25/h1-7H,8-13H2,(H,21,22).
What are the key properties of 3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine?
3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine has a molecular weight of 385.86 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine is sourced from PubChem (CID 83278185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).