5-phenyl-3-[(2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,2-oxazole

C20H22N4O — CID 24931128

IUPAC5-phenyl-3-[(2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,2-oxazole
SMILESCCCc1ncc2c(n1)CN(Cc1cc(-c3ccccc3)on1)CC2
InChIInChI=1S/C20H22N4O/c1-2-6-20-21-12-16-9-10-24(14-18(16)22-20)13-17-11-19(25-23-17)15-7-4-3-5-8-15/h3-5,7-8,11-12H,2,6,9-10,13-14H2,1H3
InChIKeyCOYNKAZZOHAWHT-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.64
Rot. Bonds5

About 5-phenyl-3-[(2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,2-oxazole

5-phenyl-3-[(2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,2-oxazole (PubChem CID 24931128) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 5-phenyl-3-[(2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-phenyl-3-[(2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,2-oxazole
PubChem CID24931128
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name5-phenyl-3-[(2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,2-oxazole
SMILESCCCc1ncc2c(n1)CN(Cc1cc(-c3ccccc3)on1)CC2
InChIInChI=1S/C20H22N4O/c1-2-6-20-21-12-16-9-10-24(14-18(16)22-20)13-17-11-19(25-23-17)15-7-4-3-5-8-15/h3-5,7-8,11-12H,2,6,9-10,13-14H2,1H3
InChIKeyCOYNKAZZOHAWHT-UHFFFAOYSA-N
XLogP3.64
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-phenyl-3-[(2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,2-oxazole with MolForge

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Related Compounds

3-[[2-(cyclopropylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methyl]-5-phenyl-1,2-oxazole
CID 24931142
3-[(2-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-5-phenyl-1,2-oxazole
CID 24931129
5-(furan-2-yl)-3-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole
CID 24917420
4-[7-[(5-phenyl-1,2-oxazol-3-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]aniline
CID 24931133
7-(1-benzothiophen-2-ylmethyl)-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931317
5-methyl-3-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole
CID 24916056
7-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135866713
3-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-5-phenyl-1,2-oxazole
CID 24916142
3-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-5-phenyl-1,2-oxazole
CID 24916149
4-methyl-5-[(2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-thiazole
CID 24930897
5-[3-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propyl]-3-phenyl-1,2,4-oxadiazole
CID 56781667
6-[(4-methyl-2-phenylpyrimidin-5-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912612

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-[(2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,2-oxazole?
The IUPAC name of 5-phenyl-3-[(2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,2-oxazole (CID 24931128) is 5-phenyl-3-[(2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,2-oxazole.
What is the SMILES notation for 5-phenyl-3-[(2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,2-oxazole?
The canonical SMILES for 5-phenyl-3-[(2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,2-oxazole is CCCc1ncc2c(n1)CN(Cc1cc(-c3ccccc3)on1)CC2.
What is the InChIKey of 5-phenyl-3-[(2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,2-oxazole?
The InChIKey is COYNKAZZOHAWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-2-6-20-21-12-16-9-10-24(14-18(16)22-20)13-17-11-19(25-23-17)15-7-4-3-5-8-15/h3-5,7-8,11-12H,2,6,9-10,13-14H2,1H3.
What are the key properties of 5-phenyl-3-[(2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,2-oxazole?
5-phenyl-3-[(2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,2-oxazole has a molecular weight of 334.42 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-[(2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,2-oxazole is sourced from PubChem (CID 24931128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).