2-(2-chlorophenyl)-5-(4-methyl-2-propan-2-ylpyrimidin-5-yl)-1,3,4-oxadiazole

C16H15ClN4O — CID 99962809

IUPAC2-(2-chlorophenyl)-5-(4-methyl-2-propan-2-ylpyrimidin-5-yl)-1,3,4-oxadiazole
SMILESCc1nc(C(C)C)ncc1-c1nnc(-c2ccccc2Cl)o1
InChIInChI=1S/C16H15ClN4O/c1-9(2)14-18-8-12(10(3)19-14)16-21-20-15(22-16)11-6-4-5-7-13(11)17/h4-9H,1-3H3
InChIKeyDJVZNLUPLZECAJ-UHFFFAOYSA-N
MW314.78 g/mol
LogP4.28
Rot. Bonds3

About 2-(2-chlorophenyl)-5-(4-methyl-2-propan-2-ylpyrimidin-5-yl)-1,3,4-oxadiazole

2-(2-chlorophenyl)-5-(4-methyl-2-propan-2-ylpyrimidin-5-yl)-1,3,4-oxadiazole (PubChem CID 99962809) has the molecular formula C16H15ClN4O and a molecular weight of 314.78 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-(4-methyl-2-propan-2-ylpyrimidin-5-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-(4-methyl-2-propan-2-ylpyrimidin-5-yl)-1,3,4-oxadiazole
PubChem CID99962809
Molecular FormulaC16H15ClN4O
Molecular Weight314.78 g/mol
Exact Mass314.09
IUPAC Name2-(2-chlorophenyl)-5-(4-methyl-2-propan-2-ylpyrimidin-5-yl)-1,3,4-oxadiazole
SMILESCc1nc(C(C)C)ncc1-c1nnc(-c2ccccc2Cl)o1
InChIInChI=1S/C16H15ClN4O/c1-9(2)14-18-8-12(10(3)19-14)16-21-20-15(22-16)11-6-4-5-7-13(11)17/h4-9H,1-3H3
InChIKeyDJVZNLUPLZECAJ-UHFFFAOYSA-N
XLogP4.28
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.78
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-(4-methyl-2-propan-2-ylpyrimidin-5-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-chlorophenyl)-5-(4-methyl-2-propan-2-ylpyrimidin-5-yl)-1,3,4-oxadiazole (CID 99962809) is 2-(2-chlorophenyl)-5-(4-methyl-2-propan-2-ylpyrimidin-5-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-chlorophenyl)-5-(4-methyl-2-propan-2-ylpyrimidin-5-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-chlorophenyl)-5-(4-methyl-2-propan-2-ylpyrimidin-5-yl)-1,3,4-oxadiazole is Cc1nc(C(C)C)ncc1-c1nnc(-c2ccccc2Cl)o1.
What is the InChIKey of 2-(2-chlorophenyl)-5-(4-methyl-2-propan-2-ylpyrimidin-5-yl)-1,3,4-oxadiazole?
The InChIKey is DJVZNLUPLZECAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O/c1-9(2)14-18-8-12(10(3)19-14)16-21-20-15(22-16)11-6-4-5-7-13(11)17/h4-9H,1-3H3.
What are the key properties of 2-(2-chlorophenyl)-5-(4-methyl-2-propan-2-ylpyrimidin-5-yl)-1,3,4-oxadiazole?
2-(2-chlorophenyl)-5-(4-methyl-2-propan-2-ylpyrimidin-5-yl)-1,3,4-oxadiazole has a molecular weight of 314.78 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-(4-methyl-2-propan-2-ylpyrimidin-5-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 99962809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).