N-(3,4-dichlorophenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine

C20H15Cl2N5O — CID 23644893

IUPACN-(3,4-dichlorophenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine
SMILESClc1ccc(Nc2nnc(-c3cccnc3CCc3ccncc3)o2)cc1Cl
InChIInChI=1S/C20H15Cl2N5O/c21-16-5-4-14(12-17(16)22)25-20-27-26-19(28-20)15-2-1-9-24-18(15)6-3-13-7-10-23-11-8-13/h1-2,4-5,7-12H,3,6H2,(H,25,27)
InChIKeyCIWUKGVMAYCXDC-UHFFFAOYSA-N
MW412.28 g/mol
LogP5.36
Rot. Bonds6

About N-(3,4-dichlorophenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine

N-(3,4-dichlorophenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine (PubChem CID 23644893) has the molecular formula C20H15Cl2N5O and a molecular weight of 412.28 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine
PubChem CID23644893
Molecular FormulaC20H15Cl2N5O
Molecular Weight412.28 g/mol
Exact Mass411.07
IUPAC NameN-(3,4-dichlorophenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine
SMILESClc1ccc(Nc2nnc(-c3cccnc3CCc3ccncc3)o2)cc1Cl
InChIInChI=1S/C20H15Cl2N5O/c21-16-5-4-14(12-17(16)22)25-20-27-26-19(28-20)15-2-1-9-24-18(15)6-3-13-7-10-23-11-8-13/h1-2,4-5,7-12H,3,6H2,(H,25,27)
InChIKeyCIWUKGVMAYCXDC-UHFFFAOYSA-N
XLogP5.36
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.28
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(3,4-dichlorophenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine (CID 23644893) is N-(3,4-dichlorophenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(3,4-dichlorophenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(3,4-dichlorophenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine is Clc1ccc(Nc2nnc(-c3cccnc3CCc3ccncc3)o2)cc1Cl.
What is the InChIKey of N-(3,4-dichlorophenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is CIWUKGVMAYCXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N5O/c21-16-5-4-14(12-17(16)22)25-20-27-26-19(28-20)15-2-1-9-24-18(15)6-3-13-7-10-23-11-8-13/h1-2,4-5,7-12H,3,6H2,(H,25,27).
What are the key properties of N-(3,4-dichlorophenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine?
N-(3,4-dichlorophenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 412.28 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 23644893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).