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

C17H11ClN6O — CID 162721501

IUPACN-(3-chlorophenyl)-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
SMILESClc1cccc(Nc2ncncc2-c2nc(-c3ccccn3)no2)c1
InChIInChI=1S/C17H11ClN6O/c18-11-4-3-5-12(8-11)22-15-13(9-19-10-21-15)17-23-16(24-25-17)14-6-1-2-7-20-14/h1-10H,(H,19,21,22)
InChIKeyBJQQPQJKUHPYFW-UHFFFAOYSA-N
MW350.77 g/mol
LogP3.99
Rot. Bonds4

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

N-(3-chlorophenyl)-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine (PubChem CID 162721501) has the molecular formula C17H11ClN6O and a molecular weight of 350.77 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
PubChem CID162721501
Molecular FormulaC17H11ClN6O
Molecular Weight350.77 g/mol
Exact Mass350.07
IUPAC NameN-(3-chlorophenyl)-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
SMILESClc1cccc(Nc2ncncc2-c2nc(-c3ccccn3)no2)c1
InChIInChI=1S/C17H11ClN6O/c18-11-4-3-5-12(8-11)22-15-13(9-19-10-21-15)17-23-16(24-25-17)14-6-1-2-7-20-14/h1-10H,(H,19,21,22)
InChIKeyBJQQPQJKUHPYFW-UHFFFAOYSA-N
XLogP3.99
TPSA89.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.77
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-chlorophenyl)-5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine
CID 175582670
4-(3-chloroanilino)pyrimidine-5-carboxylic acid
CID 28906082
3-(3-chlorophenyl)-5-(4-methylpyrimidin-5-yl)-1,2,4-oxadiazole
CID 99130253
5-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine
CID 91892579
N-(3-chlorophenyl)-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
CID 53053136
N-[[4-(3-chloroanilino)pyrimidin-5-yl]amino]formamide
CID 175213252
5-(2-bromophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 750612
5-(6-chloro-3-pyridinyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 30028861
3-pyridin-2-yl-5-quinoxalin-5-yl-1,2,4-oxadiazole
CID 39819329
6-N-(3-chlorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 19145427
3-[1-(3-chlorophenyl)triazol-4-yl]-5-pyridin-2-yl-1,2,4-oxadiazole
CID 53169988
N-(3-chlorophenyl)pyrido[4,3-d]pyrimidin-4-amine
CID 22460895

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
The IUPAC name of N-(3-chlorophenyl)-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine (CID 162721501) is N-(3-chlorophenyl)-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(3-chlorophenyl)-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
The canonical SMILES for N-(3-chlorophenyl)-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine is Clc1cccc(Nc2ncncc2-c2nc(-c3ccccn3)no2)c1.
What is the InChIKey of N-(3-chlorophenyl)-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
The InChIKey is BJQQPQJKUHPYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN6O/c18-11-4-3-5-12(8-11)22-15-13(9-19-10-21-15)17-23-16(24-25-17)14-6-1-2-7-20-14/h1-10H,(H,19,21,22).
What are the key properties of N-(3-chlorophenyl)-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
N-(3-chlorophenyl)-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine has a molecular weight of 350.77 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine is sourced from PubChem (CID 162721501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).