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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Related Compounds

2-[3-(2,4-Dichlorophenyl)-5-isoxazolyl]pyridine
CID 2726998
N1-[4-(3-phenylisoxazol-5-yl)pyrimidin-2-yl]acetamide
CID 2745719
4-[3-(2,4-Dichlorophenyl)isoxazol-5-yl]pyrimidin-2-amine
CID 2745738
3-(4-Chlorophenyl)-5-methyl-4-[2-(methylthio)pyrimidin-4-yl]isoxazole
CID 2745715
4-[2-(4-Chlorophenyl)pyrimidin-4-yl]-5-methyl-3-phenyl-1,2-oxazole
CID 2745722
2-[4-[3-(2,4-dichlorophenyl)isoxazol-5-yl]pyrimidin-2-yl]sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 2745640
N-(4-chlorophenyl)-2-[4-[3-(2-chlorophenyl)isoxazol-5-yl]pyrimidin-2-yl]sulfanyl-acetamide
CID 2745653
4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-6-propan-2-yl-N-propylpyrimidin-2-amine
CID 16682131
4-{3-[3-(Trifluoromethyl)phenyl]isoxazol-5-yl}pyrimidin-2-amine
CID 2745749
4-(6-Chloropyridin-2-yl)-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)pyrimidine
CID 46942125
5-(2-Methylpyrimidin-4-yl)-3-[3-(trifluoromethyl)phenyl]-1,2-oxazole
CID 2745750
4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-6-methyl-N-propylpyrimidin-2-amine
CID 16682032

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).