5-[4-(6-chloro-2-pyridinyl)-2-methoxypyrimidin-5-yl]-3-methyl-1,2-oxazole

C14H11ClN4O2 — CID 46942125

IUPAC5-[4-(6-chloro-2-pyridinyl)-2-methoxypyrimidin-5-yl]-3-methyl-1,2-oxazole
SMILESCOc1ncc(-c2cc(C)no2)c(-c2cccc(Cl)n2)n1
InChIInChI=1S/C14H11ClN4O2/c1-8-6-11(21-19-8)9-7-16-14(20-2)18-13(9)10-4-3-5-12(15)17-10/h3-7H,1-2H3
InChIKeyJYDNRRGALKLEAR-UHFFFAOYSA-N
MW302.72 g/mol
LogP3.16
Rot. Bonds3

About 5-[4-(6-chloro-2-pyridinyl)-2-methoxypyrimidin-5-yl]-3-methyl-1,2-oxazole

5-[4-(6-chloro-2-pyridinyl)-2-methoxypyrimidin-5-yl]-3-methyl-1,2-oxazole (PubChem CID 46942125) has the molecular formula C14H11ClN4O2 and a molecular weight of 302.72 g/mol. Its IUPAC name is 5-[4-(6-chloro-2-pyridinyl)-2-methoxypyrimidin-5-yl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[4-(6-chloro-2-pyridinyl)-2-methoxypyrimidin-5-yl]-3-methyl-1,2-oxazole
PubChem CID46942125
Molecular FormulaC14H11ClN4O2
Molecular Weight302.72 g/mol
Exact Mass302.06
IUPAC Name5-[4-(6-chloro-2-pyridinyl)-2-methoxypyrimidin-5-yl]-3-methyl-1,2-oxazole
SMILESCOc1ncc(-c2cc(C)no2)c(-c2cccc(Cl)n2)n1
InChIInChI=1S/C14H11ClN4O2/c1-8-6-11(21-19-8)9-7-16-14(20-2)18-13(9)10-4-3-5-12(15)17-10/h3-7H,1-2H3
InChIKeyJYDNRRGALKLEAR-UHFFFAOYSA-N
XLogP3.16
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(6-chloro-2-pyridinyl)-2-methoxypyrimidin-5-yl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[4-(6-chloro-2-pyridinyl)-2-methoxypyrimidin-5-yl]-3-methyl-1,2-oxazole (CID 46942125) is 5-[4-(6-chloro-2-pyridinyl)-2-methoxypyrimidin-5-yl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[4-(6-chloro-2-pyridinyl)-2-methoxypyrimidin-5-yl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[4-(6-chloro-2-pyridinyl)-2-methoxypyrimidin-5-yl]-3-methyl-1,2-oxazole is COc1ncc(-c2cc(C)no2)c(-c2cccc(Cl)n2)n1.
What is the InChIKey of 5-[4-(6-chloro-2-pyridinyl)-2-methoxypyrimidin-5-yl]-3-methyl-1,2-oxazole?
The InChIKey is JYDNRRGALKLEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O2/c1-8-6-11(21-19-8)9-7-16-14(20-2)18-13(9)10-4-3-5-12(15)17-10/h3-7H,1-2H3.
What are the key properties of 5-[4-(6-chloro-2-pyridinyl)-2-methoxypyrimidin-5-yl]-3-methyl-1,2-oxazole?
5-[4-(6-chloro-2-pyridinyl)-2-methoxypyrimidin-5-yl]-3-methyl-1,2-oxazole has a molecular weight of 302.72 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(6-chloro-2-pyridinyl)-2-methoxypyrimidin-5-yl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 46942125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).