3-(4-chlorophenyl)-5-[(2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole

C19H20ClN5O — CID 24917370

About 3-(4-chlorophenyl)-5-[(2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole

3-(4-chlorophenyl)-5-[(2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole (PubChem CID 24917370) has the molecular formula C19H20ClN5O and a molecular weight of 369.86 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-[(2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 3-(4-chlorophenyl)-5-[(2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole
• PubChem CID: 24917370
• Molecular Formula: C19H20ClN5O
• Molecular Weight: 369.86 g/mol
• Exact Mass: 369.14
• IUPAC Name: 3-(4-chlorophenyl)-5-[(2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole
• SMILES: CC(C)c1ncc2c(n1)CCN(Cc1nc(-c3ccc(Cl)cc3)no1)C2
• InChI: InChI=1S/C19H20ClN5O/c1-12(2)18-21-9-14-10-25(8-7-16(14)22-18)11-17-23-19(24-26-17)13-3-5-15(20)6-4-13/h3-6,9,12H,7-8,10-11H2,1-2H3
• InChIKey: UKENPSHGWLMBTO-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 67.94 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.86
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-[(2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole?

The IUPAC name of 3-(4-chlorophenyl)-5-[(2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole (CID 24917370) is 3-(4-chlorophenyl)-5-[(2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole.

What is the SMILES notation for 3-(4-chlorophenyl)-5-[(2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole?

The canonical SMILES for 3-(4-chlorophenyl)-5-[(2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole is CC(C)c1ncc2c(n1)CCN(Cc1nc(-c3ccc(Cl)cc3)no1)C2.

What is the InChIKey of 3-(4-chlorophenyl)-5-[(2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole?

The InChIKey is UKENPSHGWLMBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O/c1-12(2)18-21-9-14-10-25(8-7-16(14)22-18)11-17-23-19(24-26-17)13-3-5-15(20)6-4-13/h3-6,9,12H,7-8,10-11H2,1-2H3.

What are the key properties of 3-(4-chlorophenyl)-5-[(2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole?

3-(4-chlorophenyl)-5-[(2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 369.86 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-chlorophenyl)-5-[(2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 24917370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).