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

C14H10ClN3O — CID 42643241

IUPAC5-[4-(4-chlorophenyl)pyrimidin-5-yl]-3-methyl-1,2-oxazole
SMILESCc1cc(-c2cncnc2-c2ccc(Cl)cc2)on1
InChIInChI=1S/C14H10ClN3O/c1-9-6-13(19-18-9)12-7-16-8-17-14(12)10-2-4-11(15)5-3-10/h2-8H,1H3
InChIKeyMPNWQYOZLARIKE-UHFFFAOYSA-N
MW271.71 g/mol
LogP3.76
Rot. Bonds2

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

5-[4-(4-chlorophenyl)pyrimidin-5-yl]-3-methyl-1,2-oxazole (PubChem CID 42643241) has the molecular formula C14H10ClN3O and a molecular weight of 271.71 g/mol. Its IUPAC name is 5-[4-(4-chlorophenyl)pyrimidin-5-yl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[4-(4-chlorophenyl)pyrimidin-5-yl]-3-methyl-1,2-oxazole
PubChem CID42643241
Molecular FormulaC14H10ClN3O
Molecular Weight271.71 g/mol
Exact Mass271.05
IUPAC Name5-[4-(4-chlorophenyl)pyrimidin-5-yl]-3-methyl-1,2-oxazole
SMILESCc1cc(-c2cncnc2-c2ccc(Cl)cc2)on1
InChIInChI=1S/C14H10ClN3O/c1-9-6-13(19-18-9)12-7-16-8-17-14(12)10-2-4-11(15)5-3-10/h2-8H,1H3
InChIKeyMPNWQYOZLARIKE-UHFFFAOYSA-N
XLogP3.76
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-chlorophenyl)pyrimidin-5-yl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[4-(4-chlorophenyl)pyrimidin-5-yl]-3-methyl-1,2-oxazole (CID 42643241) is 5-[4-(4-chlorophenyl)pyrimidin-5-yl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[4-(4-chlorophenyl)pyrimidin-5-yl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[4-(4-chlorophenyl)pyrimidin-5-yl]-3-methyl-1,2-oxazole is Cc1cc(-c2cncnc2-c2ccc(Cl)cc2)on1.
What is the InChIKey of 5-[4-(4-chlorophenyl)pyrimidin-5-yl]-3-methyl-1,2-oxazole?
The InChIKey is MPNWQYOZLARIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O/c1-9-6-13(19-18-9)12-7-16-8-17-14(12)10-2-4-11(15)5-3-10/h2-8H,1H3.
What are the key properties of 5-[4-(4-chlorophenyl)pyrimidin-5-yl]-3-methyl-1,2-oxazole?
5-[4-(4-chlorophenyl)pyrimidin-5-yl]-3-methyl-1,2-oxazole has a molecular weight of 271.71 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-chlorophenyl)pyrimidin-5-yl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 42643241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).