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

C18H11Cl2N5O — CID 175582670

IUPACN-(3-chlorophenyl)-5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine
SMILESClc1ccc(-c2noc(-c3cncnc3Nc3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C18H11Cl2N5O/c19-12-6-4-11(5-7-12)16-24-18(26-25-16)15-9-21-10-22-17(15)23-14-3-1-2-13(20)8-14/h1-10H,(H,21,22,23)
InChIKeyWSJPRQKIVAHCLK-UHFFFAOYSA-N
MW384.23 g/mol
LogP5.24
Rot. Bonds4

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

N-(3-chlorophenyl)-5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine (PubChem CID 175582670) has the molecular formula C18H11Cl2N5O and a molecular weight of 384.23 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine
PubChem CID175582670
Molecular FormulaC18H11Cl2N5O
Molecular Weight384.23 g/mol
Exact Mass383.03
IUPAC NameN-(3-chlorophenyl)-5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine
SMILESClc1ccc(-c2noc(-c3cncnc3Nc3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C18H11Cl2N5O/c19-12-6-4-11(5-7-12)16-24-18(26-25-16)15-9-21-10-22-17(15)23-14-3-1-2-13(20)8-14/h1-10H,(H,21,22,23)
InChIKeyWSJPRQKIVAHCLK-UHFFFAOYSA-N
XLogP5.24
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.23
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine?
The IUPAC name of N-(3-chlorophenyl)-5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine (CID 175582670) is N-(3-chlorophenyl)-5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine.
What is the SMILES notation for N-(3-chlorophenyl)-5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine?
The canonical SMILES for N-(3-chlorophenyl)-5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine is Clc1ccc(-c2noc(-c3cncnc3Nc3cccc(Cl)c3)n2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine?
The InChIKey is WSJPRQKIVAHCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2N5O/c19-12-6-4-11(5-7-12)16-24-18(26-25-16)15-9-21-10-22-17(15)23-14-3-1-2-13(20)8-14/h1-10H,(H,21,22,23).
What are the key properties of N-(3-chlorophenyl)-5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine?
N-(3-chlorophenyl)-5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine has a molecular weight of 384.23 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine is sourced from PubChem (CID 175582670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).