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

C24H21ClN4O — CID 108771947

IUPAC3-(4-chlorophenyl)-5-[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine
SMILESCc1ccc(-c2cc(N3CCc4noc(-c5ccc(Cl)cc5)c4C3)nc(C)n2)cc1
InChIInChI=1S/C24H21ClN4O/c1-15-3-5-17(6-4-15)22-13-23(27-16(2)26-22)29-12-11-21-20(14-29)24(30-28-21)18-7-9-19(25)10-8-18/h3-10,13H,11-12,14H2,1-2H3
InChIKeyASMBGZWAJFBRHL-UHFFFAOYSA-N
MW416.91 g/mol
LogP5.63
Rot. Bonds3

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

3-(4-chlorophenyl)-5-[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine (PubChem CID 108771947) has the molecular formula C24H21ClN4O and a molecular weight of 416.91 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine
PubChem CID108771947
Molecular FormulaC24H21ClN4O
Molecular Weight416.91 g/mol
Exact Mass416.14
IUPAC Name3-(4-chlorophenyl)-5-[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine
SMILESCc1ccc(-c2cc(N3CCc4noc(-c5ccc(Cl)cc5)c4C3)nc(C)n2)cc1
InChIInChI=1S/C24H21ClN4O/c1-15-3-5-17(6-4-15)22-13-23(27-16(2)26-22)29-12-11-21-20(14-29)24(30-28-21)18-7-9-19(25)10-8-18/h3-10,13H,11-12,14H2,1-2H3
InChIKeyASMBGZWAJFBRHL-UHFFFAOYSA-N
XLogP5.63
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.91
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(4-chlorophenyl)-5-[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine?
The IUPAC name of 3-(4-chlorophenyl)-5-[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine (CID 108771947) is 3-(4-chlorophenyl)-5-[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(4-chlorophenyl)-5-[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine?
The canonical SMILES for 3-(4-chlorophenyl)-5-[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine is Cc1ccc(-c2cc(N3CCc4noc(-c5ccc(Cl)cc5)c4C3)nc(C)n2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine?
The InChIKey is ASMBGZWAJFBRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O/c1-15-3-5-17(6-4-15)22-13-23(27-16(2)26-22)29-12-11-21-20(14-29)24(30-28-21)18-7-9-19(25)10-8-18/h3-10,13H,11-12,14H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-5-[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine?
3-(4-chlorophenyl)-5-[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine has a molecular weight of 416.91 g/mol, XLogP of 5.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine is sourced from PubChem (CID 108771947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).