7-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C20H22N4O2 — CID 135866713

IUPAC7-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCCCc1nc2c(c(=O)[nH]1)CCN(Cc1cc(-c3ccccc3)on1)C2
InChIInChI=1S/C20H22N4O2/c1-2-6-19-21-17-13-24(10-9-16(17)20(25)22-19)12-15-11-18(26-23-15)14-7-4-3-5-8-14/h3-5,7-8,11H,2,6,9-10,12-13H2,1H3,(H,21,22,25)
InChIKeyDHXLPHJQPXXKQU-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.94
Rot. Bonds5

About 7-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

7-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 135866713) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 7-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID135866713
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name7-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCCCc1nc2c(c(=O)[nH]1)CCN(Cc1cc(-c3ccccc3)on1)C2
InChIInChI=1S/C20H22N4O2/c1-2-6-19-21-17-13-24(10-9-16(17)20(25)22-19)12-15-11-18(26-23-15)14-7-4-3-5-8-14/h3-5,7-8,11H,2,6,9-10,12-13H2,1H3,(H,21,22,25)
InChIKeyDHXLPHJQPXXKQU-UHFFFAOYSA-N
XLogP2.94
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-[(2-hydroxyphenyl)methyl]-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865973
6-[(5-phenylfuran-2-yl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943369
6-[(5-phenylthiophen-2-yl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135942890
7-[(3-methylphenyl)methyl]-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865833
5-phenyl-3-[(2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,2-oxazole
CID 24931128
7-[(3-bromophenyl)methyl]-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865271
7-[(2-chloro-3-hydroxyphenyl)methyl]-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135864173
7-[(2,6-dimethoxy-3-pyridinyl)methyl]-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135866313
5-[(4-oxo-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]thiophene-2-carboxylic acid
CID 135862660
2,7-dibenzyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 137286146
4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazin-2-one
CID 8548455
7-[(3-chloro-2,6-difluorophenyl)methyl]-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865291

Frequently Asked Questions

What is the IUPAC name of 7-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 135866713) is 7-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CCCc1nc2c(c(=O)[nH]1)CCN(Cc1cc(-c3ccccc3)on1)C2.
What is the InChIKey of 7-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is DHXLPHJQPXXKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-2-6-19-21-17-13-24(10-9-16(17)20(25)22-19)12-15-11-18(26-23-15)14-7-4-3-5-8-14/h3-5,7-8,11H,2,6,9-10,12-13H2,1H3,(H,21,22,25).
What are the key properties of 7-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 350.42 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135866713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).