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

C13H11N5O — CID 162676385

IUPAC5-(4-methylphenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine
SMILESCc1ccc(-c2nnc(Nc3ncccn3)o2)cc1
InChIInChI=1S/C13H11N5O/c1-9-3-5-10(6-4-9)11-17-18-13(19-11)16-12-14-7-2-8-15-12/h2-8H,1H3,(H,14,15,16,18)
InChIKeyMXQBNZYCTHSRBT-UHFFFAOYSA-N
MW253.27 g/mol
LogP2.58
Rot. Bonds3

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

5-(4-methylphenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine (PubChem CID 162676385) has the molecular formula C13H11N5O and a molecular weight of 253.27 g/mol. Its IUPAC name is 5-(4-methylphenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(4-methylphenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine
PubChem CID162676385
Molecular FormulaC13H11N5O
Molecular Weight253.27 g/mol
Exact Mass253.10
IUPAC Name5-(4-methylphenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine
SMILESCc1ccc(-c2nnc(Nc3ncccn3)o2)cc1
InChIInChI=1S/C13H11N5O/c1-9-3-5-10(6-4-9)11-17-18-13(19-11)16-12-14-7-2-8-15-12/h2-8H,1H3,(H,14,15,16,18)
InChIKeyMXQBNZYCTHSRBT-UHFFFAOYSA-N
XLogP2.58
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 3397365
N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 7100780
7-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2492511
4-Methyl-N-[5-(pyridin-4-YL)-1,3,4-oxadiazol-2-YL]benzamide
CID 5175267
2-(2-fluorophenyl)-5-[[(1S,4S,5S)-2-methyl-5-propan-2-yl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]cyclohex-2-en-1-yl]methyl]-1,3,4-oxadiazole
CID 45784107
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide
CID 56658047
2-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide
CID 56664976
N-hydroxy-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide
CID 56668409
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide
CID 56671918
N-hydroxy-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide
CID 56671919
2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide
CID 56671920
N-hydroxy-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]pyrimidine-5-carboxamide
CID 56675295

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(4-methylphenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine (CID 162676385) is 5-(4-methylphenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(4-methylphenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(4-methylphenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine is Cc1ccc(-c2nnc(Nc3ncccn3)o2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is MXQBNZYCTHSRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O/c1-9-3-5-10(6-4-9)11-17-18-13(19-11)16-12-14-7-2-8-15-12/h2-8H,1H3,(H,14,15,16,18).
What are the key properties of 5-(4-methylphenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine?
5-(4-methylphenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 253.27 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 162676385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).