3-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one

C14H9N5O3 — CID 56801915

IUPAC3-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1c2cccnc2ncn1Cc1nc(-c2ccoc2)no1
InChIInChI=1S/C14H9N5O3/c20-14-10-2-1-4-15-13(10)16-8-19(14)6-11-17-12(18-22-11)9-3-5-21-7-9/h1-5,7-8H,6H2
InChIKeyBZVPESITCSEJMD-UHFFFAOYSA-N
MW295.26 g/mol
LogP1.48
Rot. Bonds3

About 3-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one

3-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one (PubChem CID 56801915) has the molecular formula C14H9N5O3 and a molecular weight of 295.26 g/mol. Its IUPAC name is 3-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
PubChem CID56801915
Molecular FormulaC14H9N5O3
Molecular Weight295.26 g/mol
Exact Mass295.07
IUPAC Name3-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1c2cccnc2ncn1Cc1nc(-c2ccoc2)no1
InChIInChI=1S/C14H9N5O3/c20-14-10-2-1-4-15-13(10)16-8-19(14)6-11-17-12(18-22-11)9-3-5-21-7-9/h1-5,7-8H,6H2
InChIKeyBZVPESITCSEJMD-UHFFFAOYSA-N
XLogP1.48
TPSA99.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

3-(5-Furan-2-yl-[1,2,4]oxadiazol-3-yl)-pyridine
CID 577823
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine
CID 3233224
US10711004, Example 147
CID 142421484
{(2S)-4,4-difluoro-2-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]tetrahydro-1H-pyrrol-1-yl}(3-furyl)methanone
CID 124050789
N-[(Furan-2-YL)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-YL)pyridin-2-amine
CID 16016140
N-(furan-2-ylmethyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 16016164
N-[(Furan-2-YL)methyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-YL]pyridin-2-amine
CID 16016174
3-(5-Furan-3-yl[1,2,4]oxadiazol-3-yl)pyridine
CID 11998047
4-{3-[4-({1-[(Furan-2-YL)methyl]azetidin-3-YL}oxy)phenyl]-1,2,4-oxadiazol-5-YL}pyridine
CID 124042729
3-{3-[4-({1-[(5-Methylfuran-2-YL)methyl]azetidin-3-YL}oxy)phenyl]-1,2,4-oxadiazol-5-YL}pyridine
CID 124042736
N-[(Furan-2-YL)methyl]-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-YL]pyridin-2-amine
CID 16016142
N-[(Furan-2-YL)methyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-YL]pyridin-2-amine
CID 16016169

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one (CID 56801915) is 3-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one is O=c1c2cccnc2ncn1Cc1nc(-c2ccoc2)no1.
What is the InChIKey of 3-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is BZVPESITCSEJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N5O3/c20-14-10-2-1-4-15-13(10)16-8-19(14)6-11-17-12(18-22-11)9-3-5-21-7-9/h1-5,7-8H,6H2.
What are the key properties of 3-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
3-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 295.26 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 56801915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).