2-(3-methylfuran-2-yl)-5-[(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3,4-oxadiazole

C18H21N5O2 — CID 71932557

IUPAC2-(3-methylfuran-2-yl)-5-[(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3,4-oxadiazole
SMILESCc1ccoc1-c1nnc(CN2CCc3cnc(C(C)C)nc3C2)o1
InChIInChI=1S/C18H21N5O2/c1-11(2)17-19-8-13-4-6-23(9-14(13)20-17)10-15-21-22-18(25-15)16-12(3)5-7-24-16/h5,7-8,11H,4,6,9-10H2,1-3H3
InChIKeyNZAFELJLHHTCJP-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.11
Rot. Bonds4

About 2-(3-methylfuran-2-yl)-5-[(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3,4-oxadiazole

2-(3-methylfuran-2-yl)-5-[(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3,4-oxadiazole (PubChem CID 71932557) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-(3-methylfuran-2-yl)-5-[(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-methylfuran-2-yl)-5-[(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3,4-oxadiazole
PubChem CID71932557
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name2-(3-methylfuran-2-yl)-5-[(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3,4-oxadiazole
SMILESCc1ccoc1-c1nnc(CN2CCc3cnc(C(C)C)nc3C2)o1
InChIInChI=1S/C18H21N5O2/c1-11(2)17-19-8-13-4-6-23(9-14(13)20-17)10-15-21-22-18(25-15)16-12(3)5-7-24-16/h5,7-8,11H,4,6,9-10H2,1-3H3
InChIKeyNZAFELJLHHTCJP-UHFFFAOYSA-N
XLogP3.11
TPSA81.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylfuran-2-yl)-5-[(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(3-methylfuran-2-yl)-5-[(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3,4-oxadiazole (CID 71932557) is 2-(3-methylfuran-2-yl)-5-[(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-methylfuran-2-yl)-5-[(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-methylfuran-2-yl)-5-[(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3,4-oxadiazole is Cc1ccoc1-c1nnc(CN2CCc3cnc(C(C)C)nc3C2)o1.
What is the InChIKey of 2-(3-methylfuran-2-yl)-5-[(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is NZAFELJLHHTCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-11(2)17-19-8-13-4-6-23(9-14(13)20-17)10-15-21-22-18(25-15)16-12(3)5-7-24-16/h5,7-8,11H,4,6,9-10H2,1-3H3.
What are the key properties of 2-(3-methylfuran-2-yl)-5-[(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3,4-oxadiazole?
2-(3-methylfuran-2-yl)-5-[(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 339.40 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylfuran-2-yl)-5-[(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 71932557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).