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

C20H23N5O — CID 56781667

IUPAC5-[3-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propyl]-3-phenyl-1,2,4-oxadiazole
SMILESCCc1ncc2c(n1)CN(CCCc1nc(-c3ccccc3)no1)CC2
InChIInChI=1S/C20H23N5O/c1-2-18-21-13-16-10-12-25(14-17(16)22-18)11-6-9-19-23-20(24-26-19)15-7-4-3-5-8-15/h3-5,7-8,13H,2,6,9-12,14H2,1H3
InChIKeyULTZELCFOUOCSS-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.08
Rot. Bonds6

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

5-[3-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propyl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 56781667) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 5-[3-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propyl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propyl]-3-phenyl-1,2,4-oxadiazole
PubChem CID56781667
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name5-[3-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propyl]-3-phenyl-1,2,4-oxadiazole
SMILESCCc1ncc2c(n1)CN(CCCc1nc(-c3ccccc3)no1)CC2
InChIInChI=1S/C20H23N5O/c1-2-18-21-13-16-10-12-25(14-17(16)22-18)11-6-9-19-23-20(24-26-19)15-7-4-3-5-8-15/h3-5,7-8,13H,2,6,9-12,14H2,1H3
InChIKeyULTZELCFOUOCSS-UHFFFAOYSA-N
XLogP3.08
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-[3-(4,7-diethyl-1,4,7-triazonan-1-yl)propyl]-3-phenyl-1,2,4-oxadiazole
CID 166258341
5-phenyl-3-[(2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,2-oxazole
CID 24931128
7-[2-(benzenesulfinyl)ethyl]-2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 56781678
3-phenyl-5-[(2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole
CID 24917349
5-[3-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole
CID 55446107
3-[(4-methylpiperazin-1-yl)methyl]-5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole
CID 72841088
3-phenyl-5-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]-1,2,4-oxadiazole
CID 52544370
5-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole
CID 52525759
3-phenyl-5-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole
CID 24917361
N-ethyl-4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperazine-1-carboxamide
CID 86912395
5-pentyl-3-phenyl-1,2,4-oxadiazole
CID 19658049
5-[(4-octylpiperazin-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole
CID 155566908

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propyl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[3-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propyl]-3-phenyl-1,2,4-oxadiazole (CID 56781667) is 5-[3-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propyl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propyl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propyl]-3-phenyl-1,2,4-oxadiazole is CCc1ncc2c(n1)CN(CCCc1nc(-c3ccccc3)no1)CC2.
What is the InChIKey of 5-[3-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propyl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is ULTZELCFOUOCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-2-18-21-13-16-10-12-25(14-17(16)22-18)11-6-9-19-23-20(24-26-19)15-7-4-3-5-8-15/h3-5,7-8,13H,2,6,9-12,14H2,1H3.
What are the key properties of 5-[3-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propyl]-3-phenyl-1,2,4-oxadiazole?
5-[3-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propyl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 349.44 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propyl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 56781667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).