3-[5-(2-chlorophenyl)-2-cyclopropylpyrimidin-4-yl]-5-methyl-1,2-oxazole

C17H14ClN3O — CID 170994469

IUPAC3-[5-(2-chlorophenyl)-2-cyclopropylpyrimidin-4-yl]-5-methyl-1,2-oxazole
SMILESCc1cc(-c2nc(C3CC3)ncc2-c2ccccc2Cl)no1
InChIInChI=1S/C17H14ClN3O/c1-10-8-15(21-22-10)16-13(12-4-2-3-5-14(12)18)9-19-17(20-16)11-6-7-11/h2-5,8-9,11H,6-7H2,1H3
InChIKeyPFJLJOQHAXVMEJ-UHFFFAOYSA-N
MW311.77 g/mol
LogP4.64
Rot. Bonds3

About 3-[5-(2-chlorophenyl)-2-cyclopropylpyrimidin-4-yl]-5-methyl-1,2-oxazole

3-[5-(2-chlorophenyl)-2-cyclopropylpyrimidin-4-yl]-5-methyl-1,2-oxazole (PubChem CID 170994469) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is 3-[5-(2-chlorophenyl)-2-cyclopropylpyrimidin-4-yl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[5-(2-chlorophenyl)-2-cyclopropylpyrimidin-4-yl]-5-methyl-1,2-oxazole
PubChem CID170994469
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC Name3-[5-(2-chlorophenyl)-2-cyclopropylpyrimidin-4-yl]-5-methyl-1,2-oxazole
SMILESCc1cc(-c2nc(C3CC3)ncc2-c2ccccc2Cl)no1
InChIInChI=1S/C17H14ClN3O/c1-10-8-15(21-22-10)16-13(12-4-2-3-5-14(12)18)9-19-17(20-16)11-6-7-11/h2-5,8-9,11H,6-7H2,1H3
InChIKeyPFJLJOQHAXVMEJ-UHFFFAOYSA-N
XLogP4.64
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-chlorophenyl)-2-cyclopropylpyrimidin-4-yl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[5-(2-chlorophenyl)-2-cyclopropylpyrimidin-4-yl]-5-methyl-1,2-oxazole (CID 170994469) is 3-[5-(2-chlorophenyl)-2-cyclopropylpyrimidin-4-yl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[5-(2-chlorophenyl)-2-cyclopropylpyrimidin-4-yl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[5-(2-chlorophenyl)-2-cyclopropylpyrimidin-4-yl]-5-methyl-1,2-oxazole is Cc1cc(-c2nc(C3CC3)ncc2-c2ccccc2Cl)no1.
What is the InChIKey of 3-[5-(2-chlorophenyl)-2-cyclopropylpyrimidin-4-yl]-5-methyl-1,2-oxazole?
The InChIKey is PFJLJOQHAXVMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c1-10-8-15(21-22-10)16-13(12-4-2-3-5-14(12)18)9-19-17(20-16)11-6-7-11/h2-5,8-9,11H,6-7H2,1H3.
What are the key properties of 3-[5-(2-chlorophenyl)-2-cyclopropylpyrimidin-4-yl]-5-methyl-1,2-oxazole?
3-[5-(2-chlorophenyl)-2-cyclopropylpyrimidin-4-yl]-5-methyl-1,2-oxazole has a molecular weight of 311.77 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-chlorophenyl)-2-cyclopropylpyrimidin-4-yl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 170994469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).