5-(2-chloro-6-methylpyrimidin-4-yl)-3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine

C17H14Cl2N4O — CID 108771949

IUPAC5-(2-chloro-6-methylpyrimidin-4-yl)-3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine
SMILESCc1cc(N2CCc3noc(-c4ccc(Cl)cc4)c3C2)nc(Cl)n1
InChIInChI=1S/C17H14Cl2N4O/c1-10-8-15(21-17(19)20-10)23-7-6-14-13(9-23)16(24-22-14)11-2-4-12(18)5-3-11/h2-5,8H,6-7,9H2,1H3
InChIKeyPYEGAHGFEQFUBV-UHFFFAOYSA-N
MW361.23 g/mol
LogP4.31
Rot. Bonds2

About 5-(2-chloro-6-methylpyrimidin-4-yl)-3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine

5-(2-chloro-6-methylpyrimidin-4-yl)-3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine (PubChem CID 108771949) has the molecular formula C17H14Cl2N4O and a molecular weight of 361.23 g/mol. Its IUPAC name is 5-(2-chloro-6-methylpyrimidin-4-yl)-3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-(2-chloro-6-methylpyrimidin-4-yl)-3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine
PubChem CID108771949
Molecular FormulaC17H14Cl2N4O
Molecular Weight361.23 g/mol
Exact Mass360.05
IUPAC Name5-(2-chloro-6-methylpyrimidin-4-yl)-3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine
SMILESCc1cc(N2CCc3noc(-c4ccc(Cl)cc4)c3C2)nc(Cl)n1
InChIInChI=1S/C17H14Cl2N4O/c1-10-8-15(21-17(19)20-10)23-7-6-14-13(9-23)16(24-22-14)11-2-4-12(18)5-3-11/h2-5,8H,6-7,9H2,1H3
InChIKeyPYEGAHGFEQFUBV-UHFFFAOYSA-N
XLogP4.31
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-6-methylpyrimidin-4-yl)-3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine?
The IUPAC name of 5-(2-chloro-6-methylpyrimidin-4-yl)-3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine (CID 108771949) is 5-(2-chloro-6-methylpyrimidin-4-yl)-3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine.
What is the SMILES notation for 5-(2-chloro-6-methylpyrimidin-4-yl)-3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine?
The canonical SMILES for 5-(2-chloro-6-methylpyrimidin-4-yl)-3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine is Cc1cc(N2CCc3noc(-c4ccc(Cl)cc4)c3C2)nc(Cl)n1.
What is the InChIKey of 5-(2-chloro-6-methylpyrimidin-4-yl)-3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine?
The InChIKey is PYEGAHGFEQFUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O/c1-10-8-15(21-17(19)20-10)23-7-6-14-13(9-23)16(24-22-14)11-2-4-12(18)5-3-11/h2-5,8H,6-7,9H2,1H3.
What are the key properties of 5-(2-chloro-6-methylpyrimidin-4-yl)-3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine?
5-(2-chloro-6-methylpyrimidin-4-yl)-3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine has a molecular weight of 361.23 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-6-methylpyrimidin-4-yl)-3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine is sourced from PubChem (CID 108771949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).