3-(2,4-dichlorophenyl)-5-(2-methylpyrimidin-4-yl)-1,2-oxazole

C14H9Cl2N3O — CID 2745731

IUPAC3-(2,4-dichlorophenyl)-5-(2-methylpyrimidin-4-yl)-1,2-oxazole
SMILESCc1nccc(-c2cc(-c3ccc(Cl)cc3Cl)no2)n1
InChIInChI=1S/C14H9Cl2N3O/c1-8-17-5-4-12(18-8)14-7-13(19-20-14)10-3-2-9(15)6-11(10)16/h2-7H,1H3
InChIKeyLNTRXVQPDZRSAH-UHFFFAOYSA-N
MW306.15 g/mol
LogP4.41
Rot. Bonds2

About 3-(2,4-dichlorophenyl)-5-(2-methylpyrimidin-4-yl)-1,2-oxazole

3-(2,4-dichlorophenyl)-5-(2-methylpyrimidin-4-yl)-1,2-oxazole (PubChem CID 2745731) has the molecular formula C14H9Cl2N3O and a molecular weight of 306.15 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-5-(2-methylpyrimidin-4-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-5-(2-methylpyrimidin-4-yl)-1,2-oxazole
PubChem CID2745731
Molecular FormulaC14H9Cl2N3O
Molecular Weight306.15 g/mol
Exact Mass305.01
IUPAC Name3-(2,4-dichlorophenyl)-5-(2-methylpyrimidin-4-yl)-1,2-oxazole
SMILESCc1nccc(-c2cc(-c3ccc(Cl)cc3Cl)no2)n1
InChIInChI=1S/C14H9Cl2N3O/c1-8-17-5-4-12(18-8)14-7-13(19-20-14)10-3-2-9(15)6-11(10)16/h2-7H,1H3
InChIKeyLNTRXVQPDZRSAH-UHFFFAOYSA-N
XLogP4.41
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-5-(2-methylpyrimidin-4-yl)-1,2-oxazole?
The IUPAC name of 3-(2,4-dichlorophenyl)-5-(2-methylpyrimidin-4-yl)-1,2-oxazole (CID 2745731) is 3-(2,4-dichlorophenyl)-5-(2-methylpyrimidin-4-yl)-1,2-oxazole.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-5-(2-methylpyrimidin-4-yl)-1,2-oxazole?
The canonical SMILES for 3-(2,4-dichlorophenyl)-5-(2-methylpyrimidin-4-yl)-1,2-oxazole is Cc1nccc(-c2cc(-c3ccc(Cl)cc3Cl)no2)n1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-5-(2-methylpyrimidin-4-yl)-1,2-oxazole?
The InChIKey is LNTRXVQPDZRSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O/c1-8-17-5-4-12(18-8)14-7-13(19-20-14)10-3-2-9(15)6-11(10)16/h2-7H,1H3.
What are the key properties of 3-(2,4-dichlorophenyl)-5-(2-methylpyrimidin-4-yl)-1,2-oxazole?
3-(2,4-dichlorophenyl)-5-(2-methylpyrimidin-4-yl)-1,2-oxazole has a molecular weight of 306.15 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-5-(2-methylpyrimidin-4-yl)-1,2-oxazole is sourced from PubChem (CID 2745731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).