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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Related Compounds

5-[5-(2-chlorophenyl)-2-cyclopropylpyrimidin-4-yl]-4-methyl-1,3-oxazole
CID 142606816
4-[5-(2-chlorophenyl)-2-cyclopropylpyrimidin-4-yl]-1,3-thiazole
CID 170992532
3-(2-chlorophenyl)-5-methyl-1,2-oxazole;ethane
CID 143409135
5-[5-(2-chlorophenyl)-2-cyclopropylpyrimidin-4-yl]-4-methyl-2-phenoxy-1,3-oxazole
CID 142606823
6-(2-chlorophenyl)-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80975338
4-bromo-6-(2-chlorophenyl)-2-cyclopropylpyrimidine
CID 112554811
N'-[4-(2-chlorophenyl)-2-cyclopropylpyrimidin-5-yl]propane-1,3-diamine
CID 117211859
5-(6-chloro-1,3-benzodioxol-5-yl)-2-cyclopropyl-4-methylpyrimidine
CID 139451057
N'-acetyl-5-(2-chlorophenyl)-2-cyclopropyl-N'-pyridin-2-ylpyrimidine-4-carbohydrazide
CID 146449241
tert-butyl N-[[5-(2-chlorophenyl)-2-cyclopropylpyrimidine-4-carbonyl]amino]-N-methylcarbamate
CID 150588786
2-(2-chlorophenyl)-1-cyclopropyl-4-methylbenzene
CID 91376879
N'-[4-(2-chlorophenyl)-2-cyclobutylpyrimidin-5-yl]ethane-1,2-diamine
CID 117211824

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).