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

C18H20N4O2 — CID 24917420

IUPAC5-(furan-2-yl)-3-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole
SMILESCCCc1ncc2c(n1)CCN(Cc1cc(-c3ccco3)on1)C2
InChIInChI=1S/C18H20N4O2/c1-2-4-18-19-10-13-11-22(7-6-15(13)20-18)12-14-9-17(24-21-14)16-5-3-8-23-16/h3,5,8-10H,2,4,6-7,11-12H2,1H3
InChIKeyBTYQEOYBIQWPCD-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.24
Rot. Bonds5

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

5-(furan-2-yl)-3-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole (PubChem CID 24917420) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-(furan-2-yl)-3-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole
PubChem CID24917420
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name5-(furan-2-yl)-3-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole
SMILESCCCc1ncc2c(n1)CCN(Cc1cc(-c3ccco3)on1)C2
InChIInChI=1S/C18H20N4O2/c1-2-4-18-19-10-13-11-22(7-6-15(13)20-18)12-14-9-17(24-21-14)16-5-3-8-23-16/h3,5,8-10H,2,4,6-7,11-12H2,1H3
InChIKeyBTYQEOYBIQWPCD-UHFFFAOYSA-N
XLogP3.24
TPSA68.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-3-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole
CID 24916056
5-phenyl-3-[(2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,2-oxazole
CID 24931128
5-(furan-2-yl)-3-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole
CID 24917424
6-[(2,6-dimethylphenyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928995
4-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 24917147
6-[(3,4-dichlorophenyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929961
2-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole
CID 24910029
6-(2H-indazol-3-ylmethyl)-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914838
6-[[5-(2-methylphenyl)thiophen-2-yl]methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915594
6-[(2,3-dimethylimidazol-4-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915783
6-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909399
1-[5-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]thiophen-2-yl]ethanone
CID 24910974

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole?
The IUPAC name of 5-(furan-2-yl)-3-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole (CID 24917420) is 5-(furan-2-yl)-3-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole.
What is the SMILES notation for 5-(furan-2-yl)-3-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole?
The canonical SMILES for 5-(furan-2-yl)-3-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole is CCCc1ncc2c(n1)CCN(Cc1cc(-c3ccco3)on1)C2.
What is the InChIKey of 5-(furan-2-yl)-3-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole?
The InChIKey is BTYQEOYBIQWPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-2-4-18-19-10-13-11-22(7-6-15(13)20-18)12-14-9-17(24-21-14)16-5-3-8-23-16/h3,5,8-10H,2,4,6-7,11-12H2,1H3.
What are the key properties of 5-(furan-2-yl)-3-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole?
5-(furan-2-yl)-3-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole has a molecular weight of 324.38 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-3-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole is sourced from PubChem (CID 24917420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).